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

Systemtic Name: 2-[4-(1-phenylethyl)piperazin-1-yl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Openeye Name: 2-[4-(1-phenylethyl)piperazin-1-yl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one CAS Name: 2-[4-(1-phenylethyl)-1-piperazinyl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1-butanone IUPAC Name: 2-[4-(1-phenylethyl)piperazin-1-yl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Traditional Name: 2-[4-(1-phenylethyl)piperazino]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Formula: C26H35N3O MolecularWeight: 405.5756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC2=C(CCNCC2)C=C1)N3CCN(CC3)C(C)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)C1=CC2=C(CCNCC2)C=C1)N3CCN(CC3)C(C)C4=CC=CC=C4

InChI

InChI=1S/C26H35N3O/c1-3-25(26(30)24-10-9-22-11-13-27-14-12-23(22)19-24)29-17-15-28(16-18-29)20(2)21-7-5-4-6-8-21/h4-10,19-20,25,27H,3,11-18H2,1-2H3