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

Systemtic Name: 3-ethanoyl-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-methylpropyl)-3-prop-2-enyl-hex-5-enamide Openeye Name: 3-acetyl-3-allyl-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)-3-prop-2-enyl-5-hexenamide IUPAC Name: 3-acetyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-methylpropyl)-3-prop-2-enylhex-5-enamide Traditional Name: 3-acetyl-3-allyl-2-isobutyl-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)hex-5-enamide Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37N3O3/c1-7-18-31(19-8-2,22(5)35)25(20-21(3)4)29(36)33-28-30(37)34(6)26-17-13-12-16-24(26)27(32-28)23-14-10-9-11-15-23/h7-17,21,25,28H,1-2,18-20H2,3-6H3,(H,33,36)