1-(azepan-1-yl)-4-[4-(1H-indol-4-yl)piperazin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-[4-(1H-indol-4-yl)piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[4-(1H-indol-4-yl)piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-(1-azepanyl)-4-[4-(1H-indol-4-yl)-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-[4-(1H-indol-4-yl)piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-(azepan-1-yl)-4-[4-(1H-indol-4-yl)piperazino]-2-phenyl-butan-1-one Formula: C28H36N4O MolecularWeight: 444.61164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CCN2CCN(CC2)C3=CC=CC4=C3C=CN4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CCN2CCN(CC2)C3=CC=CC4=C3C=CN4)C5=CC=CC=C5

InChI

InChI=1S/C28H36N4O/c33-28(32-16-6-1-2-7-17-32)24(23-9-4-3-5-10-23)14-18-30-19-21-31(22-20-30)27-12-8-11-26-25(27)13-15-29-26/h3-5,8-13,15,24,29H,1-2,6-7,14,16-22H2