N-(5-butyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-2-(5-methylhex-1-en-3-yl)butanediamide

Systemtic Name: N-(5-butyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-2-(5-methylhex-1-en-3-yl)butanediamide Openeye Name: N-(5-butyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-(3-methyl-1-vinyl-butyl)butanediamide CAS Name: N-(5-butyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-(5-methylhex-1-en-3-yl)butanediamide IUPAC Name: N-(5-butyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-(5-methylhex-1-en-3-yl)butanediamide Traditional Name: N-(5-butyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)-2-(1-isobutylallyl)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(=O)N)C(CC(C)C)C=C

Isomeric SMILES

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

InChI

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