(E)-N-[4-[2-[7-(2-methylpropanoyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-4-oxidanylidene-4-phenyl-but-2-enamide

Systemtic Name: (E)-N-[4-[2-[7-(2-methylpropanoyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-4-oxidanylidene-4-phenyl-but-2-enamide Openeye Name: (E)-N-[4-[2-[7-(2-methylpropanoyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-4-oxo-4-phenyl-but-2-enamide CAS Name: (E)-N-[4-[2-[7-(2-methyl-1-oxopropyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-4-oxo-4-phenyl-2-butenamide IUPAC Name: (E)-N-[4-[2-[7-(2-methylpropanoyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-4-oxo-4-phenylbut-2-enamide Traditional Name: (E)-N-[4-[2-(7-isobutyryl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-4-keto-4-phenyl-but-2-enamide Formula: C32H40N2O3 MolecularWeight: 500.6716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC2=C(CCN(CC2)CCC3CCC(CC3)NC(=O)C=CC(=O)C4=CC=CC=C4)C=C1

Isomeric SMILES

CC(C)C(=O)C1=CC2=C(CCN(CC2)CCC3CCC(CC3)NC(=O)/C=C/C(=O)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C32H40N2O3/c1-23(2)32(37)28-11-10-25-17-20-34(21-18-27(25)22-28)19-16-24-8-12-29(13-9-24)33-31(36)15-14-30(35)26-6-4-3-5-7-26/h3-7,10-11,14-15,22-24,29H,8-9,12-13,16-21H2,1-2H3,(H,33,36)/b15-14+