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

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

C1CCNC2=C(C1)C=CC(=C2)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCNC2=C(C1)C=CC(=C2)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O/c28-24(22-10-9-21-8-4-5-12-25-23(21)18-22)11-13-26-14-16-27(17-15-26)19-20-6-2-1-3-7-20/h1-3,6-7,9-10,18,25H,4-5,8,11-17,19H2