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

Systemtic Name: N'-(1,5-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-(1,5-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-isobutyl-butanediamide CAS Name: N'-(1,5-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-(1,5-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-isobutyl-N'-(2-keto-1,5-dimethyl-3H-1,4-benzodiazepin-3-yl)succinamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C(=O)N(C2=CC=CC=C12)C)NC(=O)C(CC(C)C)C(CC=C)C(=O)N

Isomeric SMILES

CC1=NC(C(=O)N(C2=CC=CC=C12)C)NC(=O)C(CC(C)C)C(CC=C)C(=O)N

InChI

InChI=1S/C22H30N4O3/c1-6-9-16(19(23)27)17(12-13(2)3)21(28)25-20-22(29)26(5)18-11-8-7-10-15(18)14(4)24-20/h6-8,10-11,13,16-17,20H,1,9,12H2,2-5H3,(H2,23,27)(H,25,28)