2-(azepan-1-yl)-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-(azepan-1-yl)-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethanone Openeye Name: 2-(azepan-1-yl)-1-[(3S)-3-(4-phenylpiperazin-1-yl)-1-piperidyl]ethanone CAS Name: 2-(1-azepanyl)-1-[(3S)-3-(4-phenyl-1-piperazinyl)-1-piperidinyl]ethanone IUPAC Name: 2-(azepan-1-yl)-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethanone Traditional Name: 2-(azepan-1-yl)-1-[(3S)-3-(4-phenylpiperazino)piperidino]ethanone Formula: C23H36N4O MolecularWeight: 384.55814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CC(=O)N2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H36N4O/c28-23(20-24-12-6-1-2-7-13-24)27-14-8-11-22(19-27)26-17-15-25(16-18-26)21-9-4-3-5-10-21/h3-5,9-10,22H,1-2,6-8,11-20H2/t22-/m0/s1