2-[2,5-bis(oxidanylidene)-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-butyl-2-phenyl-ethanamide

Systemtic Name: 2-[2,5-bis(oxidanylidene)-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-butyl-2-phenyl-ethanamide Openeye Name: 2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-butyl-2-phenyl-acetamide CAS Name: N-butyl-2-[2,5-dioxo-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetamide IUPAC Name: 2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-butyl-2-phenylacetamide Traditional Name: 2-(3-benzyl-2,5-diketo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-butyl-2-phenyl-acetamide Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C1=CC=CC=C1)N2C(C(=O)NC3=CC=CC=C3C2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)C(C1=CC=CC=C1)N2C(C(=O)NC3=CC=CC=C3C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3/c1-2-3-18-29-27(33)25(21-14-8-5-9-15-21)31-24(19-20-12-6-4-7-13-20)26(32)30-23-17-11-10-16-22(23)28(31)34/h4-17,24-25H,2-3,18-19H2,1H3,(H,29,33)(H,30,32)