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

Systemtic Name: 3-(2-methylpropyl)-N'-(2-oxidanylidene-1-phenethyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-isobutyl-N'-(2-oxo-1-phenethyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)butanediamide CAS Name: 3-(2-methylpropyl)-N'-(2-oxo-1-phenethyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-prop-2-enylbutanediamide IUPAC Name: 3-(2-methylpropyl)-N'-(2-oxo-1-phenethyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-isobutyl-N'-(2-keto-1-phenethyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)succinamide Formula: C34H38N4O3 MolecularWeight: 550.69052

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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)CCC4=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)CCC4=CC=CC=C4

InChI

InChI=1S/C34H38N4O3/c1-4-13-26(31(35)39)28(22-23(2)3)33(40)37-32-34(41)38(21-20-24-14-7-5-8-15-24)29-19-12-11-18-27(29)30(36-32)25-16-9-6-10-17-25/h4-12,14-19,23,26,28,32H,1,13,20-22H2,2-3H3,(H2,35,39)(H,37,40)