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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(C(=O)N(C2=CC=CC=C21)C)NC(=O)C(CC(C)C)C(CC=C)C(=O)N

Isomeric SMILES

CCCCC1=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/c1-6-8-13-20-18-12-9-10-14-21(18)29(5)25(32)23(27-20)28-24(31)19(15-16(3)4)17(11-7-2)22(26)30/h7,9-10,12,14,16-17,19,23H,2,6,8,11,13,15H2,1,3-5H3,(H2,26,30)(H,28,31)