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

Systemtic Name: 3-(2-methylpropyl)-N'-(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-isobutyl-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butanediamide CAS Name: 3-(2-methylpropyl)-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-prop-2-enylbutanediamide IUPAC Name: 3-(2-methylpropyl)-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-isobutyl-N'-(2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)succinamide Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C26H30N4O3/c1-4-10-18(23(27)31)20(15-16(2)3)25(32)30-24-26(33)28-21-14-9-8-13-19(21)22(29-24)17-11-6-5-7-12-17/h4-9,11-14,16,18,20,24H,1,10,15H2,2-3H3,(H2,27,31)(H,28,33)(H,30,32)