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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCCC(CC1C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCCC(=O)N1CCCC(CC1C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4OC

InChI

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