Nombre: 1d
IUPAC: methyl 3-(N-[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate
SMILES:
COC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C#N)cc1)n2C)c1ccccc1Canonical SMILES:
CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)C3=CC=CC=C3)N=C1CNC4=CC=C(C=C4)C#NFórmula molecular: C27H25N5O3
Masa molecular: 467.50
InChIKey: IWQJUSCTFXXCDD-UHFFFAOYSA-N
InChI:
PubChem CID: 58069422 →InChI=1S/C27H25N5O3/c1-31-24-13-10-20(27(34)32(15-14-26(33)35-2)22-6-4-3-5-7-22)16-23(24)30-25(31)18-29-21-11-8-19(17-28)9-12-21/h3-13,16,29H,14-15,18H2,1-2H3Sinónimos
SCHEMBL506730IWQJUSCTFXXCDD-UHFFFAOYSA-N3-({2-[(4-Cyano-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-phenyl-amino)-propionic acid methyl ester
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