ethyl 4-[[4-(4-chlorophenyl)carbonyl-2-oxidanylidene-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzenecarboximidate

Systemtic Name: ethyl 4-[[4-(4-chlorophenyl)carbonyl-2-oxidanylidene-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzenecarboximidate Openeye Name: ethyl 4-[[4-(4-chlorobenzoyl)-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzenecarboximidate CAS Name: 4-[[4-[(4-chlorophenyl)-oxomethyl]-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzenecarboximidic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-chlorobenzoyl)-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzenecarboximidate Traditional Name: 4-[[4-(4-chlorobenzoyl)-2-keto-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzenecarboximidic acid ethyl ester Formula: C26H24ClN3O3 MolecularWeight: 461.94006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=N)C1=CC=C(C=C1)CN2C(=O)CN(CC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=N)C1=CC=C(C=C1)CN2C(=O)CN(CC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H24ClN3O3/c1-2-33-25(28)19-9-7-18(8-10-19)15-30-23-6-4-3-5-21(23)16-29(17-24(30)31)26(32)20-11-13-22(27)14-12-20/h3-14,28H,2,15-17H2,1H3