Nombre: {3-[4-(3-{2-dimethylaminomethylene-6-[2-(3-fluoro-phenyl)-ethyl]-2H-benzo[1,4]oxazin-3-yl}-ureido)-piperidin-1-yl]-propyl}-carbamic acid tert-butyl ester
IUPAC: tert-butyl N-[3-[4-[[2-(dimethylaminomethylidene)-6-[2-(3-fluorophenyl)ethyl]-1,4-benzoxazin-3-yl]carbamoylamino]piperidin-1-yl]propyl]carbamate
SMILES:
CN(C)C=C1Oc2ccc(CCc3cccc(F)c3)cc2N=C1NC(=O)NC1CCN(CCCNC(=O)OC(C)(C)C)CC1Canonical SMILES:
CC(C)(C)OC(=O)NCCCN1CCC(CC1)NC(=O)NC2=NC3=C(C=CC(=C3)CCC4=CC(=CC=C4)F)OC2=CN(C)CFórmula molecular: C33H45FN6O4
Masa molecular: 608.70
InChIKey: QPWXNNHFISHRIK-UHFFFAOYSA-N
InChI:
PubChem CID: 66578840 →InChI=1S/C33H45FN6O4/c1-33(2,3)44-32(42)35-16-7-17-40-18-14-26(15-19-40)36-31(41)38-30-29(22-39(4)5)43-28-13-12-24(21-27(28)37-30)11-10-23-8-6-9-25(34)20-23/h6,8-9,12-13,20-22,26H,7,10-11,14-19H2,1-5H3,(H,35,42)(H2,36,37,38,41)Sinónimos
SCHEMBL7527QPWXNNHFISHRIK-UHFFFAOYSA-N{3-[4-(3-{2-Dimethylaminomethylene-6-[2-(3-fluoro-phenyl)-ethyl]-2H-benzo[1,4]oxazin-3-yl}-ureido)-piperidin-1-yl]-propyl}-carbamic acid tert-butyl ester
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