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

Systemtic Name: N'-[1-methyl-5-(2-methylpropyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-isobutyl-N'-(5-isobutyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)butanediamide CAS Name: N'-[1-methyl-5-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[1-methyl-5-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-isobutyl-N'-(5-isobutyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)succinamide Formula: C25H36N4O3 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(C(=O)N(C2=CC=CC=C21)C)NC(=O)C(CC(C)C)C(CC=C)C(=O)N

Isomeric SMILES

CC(C)CC1=NC(C(=O)N(C2=CC=CC=C21)C)NC(=O)C(CC(C)C)C(CC=C)C(=O)N

InChI

InChI=1S/C25H36N4O3/c1-7-10-17(22(26)30)19(13-15(2)3)24(31)28-23-25(32)29(6)21-12-9-8-11-18(21)20(27-23)14-16(4)5/h7-9,11-12,15-17,19,23H,1,10,13-14H2,2-6H3,(H2,26,30)(H,28,31)