2-[4-(phenylmethyl)piperazin-1-yl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one Openeye Name: 2-(4-benzylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one CAS Name: 2-[4-(phenylmethyl)-1-piperazinyl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)-1-propanone IUPAC Name: 2-(4-benzylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one Traditional Name: 2-(4-benzylpiperazino)-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one Formula: C24H31N3O MolecularWeight: 377.52244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCCCN2)C=C1)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC2=C(CCCCN2)C=C1)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O/c1-19(24(28)22-11-10-21-9-5-6-12-25-23(21)17-22)27-15-13-26(14-16-27)18-20-7-3-2-4-8-20/h2-4,7-8,10-11,17,19,25H,5-6,9,12-16,18H2,1H3