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

Systemtic Name: 2-[4-(3,4-dimethylphenyl)-2-oxidanylidene-3H-1,5-benzodiazepin-1-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[4-(3,4-dimethylphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[4-(3,4-dimethylphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[4-(3,4-dimethylphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[4-(3,4-dimethylphenyl)-2-keto-3H-1,5-benzodiazepin-1-yl]-N-(3-phenylpropyl)acetamide Formula: C28H29N3O2 MolecularWeight: 439.54876

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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)NCCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N(C(=O)C2)CC(=O)NCCCC4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3O2/c1-20-14-15-23(17-21(20)2)25-18-28(33)31(26-13-7-6-12-24(26)30-25)19-27(32)29-16-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-15,17H,8,11,16,18-19H2,1-2H3,(H,29,32)