4-[7-chloranyl-1-methyl-3-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[7-chloranyl-1-methyl-3-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[7-chloro-3-[(4-isopropylphenyl)methyl]-1-methyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[7-chloro-1-methyl-3-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[7-chloro-1-methyl-3-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[7-chloro-3-(4-isopropylbenzyl)-1-methyl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C26H27ClN2O MolecularWeight: 418.95838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC2CN(C3=C(C=C(C=C3)Cl)C(=C4C=CC(=O)C=C4)N2)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC2CN(C3=C(C=C(C=C3)Cl)C(=C4C=CC(=O)C=C4)N2)C

InChI

InChI=1S/C26H27ClN2O/c1-17(2)19-6-4-18(5-7-19)14-22-16-29(3)25-13-10-21(27)15-24(25)26(28-22)20-8-11-23(30)12-9-20/h4-13,15,17,22,28H,14,16H2,1-3H3