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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1-butanone IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Traditional Name: 4-(4-benzhydrylpiperazino)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Formula: C31H37N3O MolecularWeight: 467.64498

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C=CC(=C2)C(=O)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CNCCC2=C1C=CC(=C2)C(=O)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H37N3O/c35-30(29-14-13-25-15-17-32-18-16-28(25)24-29)12-7-19-33-20-22-34(23-21-33)31(26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-6,8-11,13-14,24,31-32H,7,12,15-23H2