N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide Traditional Name: N-homoveratryl-2-(2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H27N3O4/c1-33-23-13-12-19(16-24(23)34-2)14-15-28-25(31)18-30-22-11-7-6-10-21(22)27(29-17-26(30)32)20-8-4-3-5-9-20/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,31)