3-[2-(4-methoxyphenyl)azepan-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[2-(4-methoxyphenyl)azepan-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[2-(4-methoxyphenyl)azepan-1-yl]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[2-(4-methoxyphenyl)-1-azepanyl]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[2-(4-methoxyphenyl)azepan-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[2-(4-methoxyphenyl)azepan-1-yl]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2CCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C25H34N4O2/c1-31-22-11-9-21(10-12-22)23-7-3-2-6-15-27(23)16-13-25(30)29-19-17-28(18-20-29)24-8-4-5-14-26-24/h4-5,8-12,14,23H,2-3,6-7,13,15-20H2,1H3