N-butyl-2-[1-methyl-2,5-bis(oxidanylidene)-3-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-4-phenyl-butanamide

Systemtic Name: N-butyl-2-[1-methyl-2,5-bis(oxidanylidene)-3-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-4-phenyl-butanamide Openeye Name: 2-(3-benzyl-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)-N-butyl-4-phenyl-butanamide CAS Name: N-butyl-2-[1-methyl-2,5-dioxo-3-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-4-phenylbutanamide IUPAC Name: 2-(3-benzyl-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)-N-butyl-4-phenylbutanamide Traditional Name: 2-(3-benzyl-2,5-diketo-1-methyl-3H-1,4-benzodiazepin-4-yl)-N-butyl-4-phenyl-butyramide Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CCC1=CC=CC=C1)N2C(C(=O)N(C3=CC=CC=C3C2=O)C)CC4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)C(CCC1=CC=CC=C1)N2C(C(=O)N(C3=CC=CC=C3C2=O)C)CC4=CC=CC=C4

InChI

InChI=1S/C31H35N3O3/c1-3-4-21-32-29(35)27(20-19-23-13-7-5-8-14-23)34-28(22-24-15-9-6-10-16-24)31(37)33(2)26-18-12-11-17-25(26)30(34)36/h5-18,27-28H,3-4,19-22H2,1-2H3,(H,32,35)