3-(2-methylpropyl)-N'-[4-oxidanylidene-1-phenyl-5-(phenylmethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-propyl-butanediamide

Systemtic Name: 3-(2-methylpropyl)-N'-[4-oxidanylidene-1-phenyl-5-(phenylmethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-propyl-butanediamide Openeye Name: N'-(5-benzyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-isobutyl-2-propyl-butanediamide CAS Name: 3-(2-methylpropyl)-N'-[4-oxo-1-phenyl-5-(phenylmethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-propylbutanediamide IUPAC Name: N'-(5-benzyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-(2-methylpropyl)-2-propylbutanediamide Traditional Name: N'-(5-benzyl-4-keto-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-isobutyl-2-propyl-succinamide Formula: C33H40N4O3 MolecularWeight: 540.6957

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)NC1CN(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCCC(C(CC(C)C)C(=O)NC1CN(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C33H40N4O3/c1-4-13-26(31(34)38)27(20-23(2)3)32(39)35-28-22-36(25-16-9-6-10-17-25)29-18-11-12-19-30(29)37(33(28)40)21-24-14-7-5-8-15-24/h5-12,14-19,23,26-28H,4,13,20-22H2,1-3H3,(H2,34,38)(H,35,39)