4-[4-(phenylmethyl)piperazin-1-yl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one

Systemtic Name: 4-[4-(phenylmethyl)piperazin-1-yl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Openeye Name: 4-(4-benzylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one CAS Name: 4-[4-(phenylmethyl)-1-piperazinyl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1-butanone IUPAC Name: 4-(4-benzylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Traditional Name: 4-(4-benzylpiperazino)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Formula: C25H33N3O MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C=CC(=C2)C(=O)CCCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CNCCC2=C1C=CC(=C2)C(=O)CCCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O/c29-25(24-9-8-22-10-12-26-13-11-23(22)19-24)7-4-14-27-15-17-28(18-16-27)20-21-5-2-1-3-6-21/h1-3,5-6,8-9,19,26H,4,7,10-18,20H2