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

Systemtic Name: 3-(2-methylpropyl)-N'-[2-oxidanylidene-5-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-3-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-(1-benzyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-isobutyl-butanediamide CAS Name: 3-(2-methylpropyl)-N'-[2-oxo-5-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-3-yl]-2-prop-2-enylbutanediamide IUPAC Name: N'-(1-benzyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-(1-benzyl-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-isobutyl-succinamide Formula: C33H36N4O3 MolecularWeight: 536.66394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C33H36N4O3/c1-4-13-25(30(34)38)27(20-22(2)3)32(39)36-31-33(40)37(21-23-14-7-5-8-15-23)28-19-12-11-18-26(28)29(35-31)24-16-9-6-10-17-24/h4-12,14-19,22,25,27,31H,1,13,20-21H2,2-3H3,(H2,34,38)(H,36,39)