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

Systemtic Name: 1-(azepan-1-yl)-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]butan-1-one CAS Name: 1-(1-azepanyl)-4-[4-[4-(2-methoxyphenyl)-1-piperazinyl]phenyl]-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]butan-1-one Traditional Name: 1-(azepan-1-yl)-4-[4-[4-(2-methoxyphenyl)piperazino]phenyl]butan-1-one Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C=C3)CCCC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C=C3)CCCC(=O)N4CCCCCC4

InChI

InChI=1S/C27H37N3O2/c1-32-26-11-5-4-10-25(26)29-21-19-28(20-22-29)24-15-13-23(14-16-24)9-8-12-27(31)30-17-6-2-3-7-18-30/h4-5,10-11,13-16H,2-3,6-9,12,17-22H2,1H3