1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2-phenyl-butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2-phenyl-butan-1-one CAS Name: 1-(1-azepanyl)-4-[4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2-phenyl-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2-phenylbutan-1-one Traditional Name: 1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2-phenyl-butan-1-one Formula: C28H36N2O2 MolecularWeight: 432.59764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CCNC(C2)CCC(C3=CC=CC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=CCNC(C2)CCC(C3=CC=CC=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C28H36N2O2/c1-32-27-14-8-7-13-25(27)23-17-18-29-24(21-23)15-16-26(22-11-5-4-6-12-22)28(31)30-19-9-2-3-10-20-30/h4-8,11-14,17,24,26,29H,2-3,9-10,15-16,18-21H2,1H3