3-ethanoyl-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-methylpropyl)hex-5-enamide

Systemtic Name: 3-ethanoyl-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-methylpropyl)hex-5-enamide Openeye Name: 3-acetyl-2-isobutyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)hex-5-enamide CAS Name: 3-acetyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-methylpropyl)-5-hexenamide IUPAC Name: 3-acetyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-methylpropyl)hex-5-enamide Traditional Name: 3-acetyl-2-isobutyl-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)hex-5-enamide Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C

InChI

InChI=1S/C28H33N3O3/c1-6-12-21(19(4)32)23(17-18(2)3)27(33)30-26-28(34)31(5)24-16-11-10-15-22(24)25(29-26)20-13-8-7-9-14-20/h6-11,13-16,18,21,23,26H,1,12,17H2,2-5H3,(H,30,33)