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

Systemtic Name: 3-ethanoyl-2-(2-methylpropyl)-N-(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)hex-5-enamide Openeye Name: 3-acetyl-2-isobutyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)hex-5-enamide CAS Name: 3-acetyl-2-(2-methylpropyl)-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-5-hexenamide IUPAC Name: 3-acetyl-2-(2-methylpropyl)-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)hex-5-enamide Traditional Name: 3-acetyl-2-isobutyl-N-(2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)hex-5-enamide Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)C)C(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)C)C(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C27H31N3O3/c1-5-11-20(18(4)31)22(16-17(2)3)26(32)30-25-27(33)28-23-15-10-9-14-21(23)24(29-25)19-12-7-6-8-13-19/h5-10,12-15,17,20,22,25H,1,11,16H2,2-4H3,(H,28,33)(H,30,32)