1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-yl-butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-yl-butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-pyridyl)butan-1-one CAS Name: 1-(1-azepanyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(2-pyridinyl)-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylbutan-1-one Traditional Name: 1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazino]-3-(2-pyridyl)butan-1-one Formula: C26H36N4O2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC(CC(=O)N3CCCCCC3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC(CC(=O)N3CCCCCC3)C4=CC=CC=N4

InChI

InChI=1S/C26H36N4O2/c1-32-25-12-5-4-11-24(25)29-18-16-28(17-19-29)21-22(23-10-6-7-13-27-23)20-26(31)30-14-8-2-3-9-15-30/h4-7,10-13,22H,2-3,8-9,14-21H2,1H3