IUPAC: 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine

SMILES: CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(B3OC(C)(C)C(C)(C)O3)cc1OCC2

Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=NC(=CN4CCO3)C5=NC=NN5C(C)C

Fórmula molecular: C22H28BN5O3

Masa molecular: 421.30

InChIKey: SIPRVLLMBNRQLE-UHFFFAOYSA-N

InChI:

InChI=1S/C22H28BN5O3/c1-14(2)28-20(24-13-25-28)17-12-27-9-10-29-18-11-15(7-8-16(18)19(27)26-17)23-30-21(3,4)22(5,6)31-23/h7-8,11-14H,9-10H2,1-6H3

PubChem CID: 58204713 →

Sinónimos

SCHEMBL1485227SIPRVLLMBNRQLE-UHFFFAOYSA-N2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-8-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene

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