2-[1-(4-cyclohexyl-2-methyl-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-(4-cyclohexyl-2-methyl-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(4-cyclohexyl-2-methyl-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone CAS Name: 2-[1-[(4-cyclohexyl-2-methylphenyl)-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-2-yl]-1-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 2-[1-(4-cyclohexyl-2-methylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone Traditional Name: 2-[1-(4-cyclohexyl-2-methyl-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-2-yl]-1-(4-methylpiperazino)ethanone Formula: C31H41N3O2 MolecularWeight: 487.67614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCCCC2)C(=O)N3C(CCCC4=CC=CC=C43)CC(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCCCC2)C(=O)N3C(CCCC4=CC=CC=C43)CC(=O)N5CCN(CC5)C

InChI

InChI=1S/C31H41N3O2/c1-23-21-26(24-9-4-3-5-10-24)15-16-28(23)31(36)34-27(13-8-12-25-11-6-7-14-29(25)34)22-30(35)33-19-17-32(2)18-20-33/h6-7,11,14-16,21,24,27H,3-5,8-10,12-13,17-20,22H2,1-2H3