2-[4-(3,4-dimethylphenyl)-2-oxidanylidene-3H-1,5-benzodiazepin-1-yl]-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-[4-(3,4-dimethylphenyl)-2-oxidanylidene-3H-1,5-benzodiazepin-1-yl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[4-(3,4-dimethylphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide CAS Name: N-(4-acetylphenyl)-2-[4-(3,4-dimethylphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[4-(3,4-dimethylphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[4-(3,4-dimethylphenyl)-2-keto-3H-1,5-benzodiazepin-1-yl]acetamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N(C(=O)C2)CC(=O)NC4=CC=C(C=C4)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N(C(=O)C2)CC(=O)NC4=CC=C(C=C4)C(=O)C)C

InChI

InChI=1S/C27H25N3O3/c1-17-8-9-21(14-18(17)2)24-15-27(33)30(25-7-5-4-6-23(25)29-24)16-26(32)28-22-12-10-20(11-13-22)19(3)31/h4-14H,15-16H2,1-3H3,(H,28,32)