1-[(3S)-3-naphthalen-2-yl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]azepan-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone

Systemtic Name: 1-[(3S)-3-naphthalen-2-yl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]azepan-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone Openeye Name: 2-(3-isopropoxyphenyl)-1-[(3S)-3-(2-naphthyl)-3-[2-[4-(1-piperidyl)-1-piperidyl]ethyl]azepan-1-yl]ethanone CAS Name: 1-[(3S)-3-(2-naphthalenyl)-3-[2-[4-(1-piperidinyl)-1-piperidinyl]ethyl]-1-azepanyl]-2-(3-propan-2-yloxyphenyl)ethanone IUPAC Name: 1-[(3S)-3-naphthalen-2-yl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]azepan-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone Traditional Name: 2-(3-isopropoxyphenyl)-1-[(3S)-3-(2-naphthyl)-3-[2-(4-piperidinopiperidino)ethyl]azepan-1-yl]ethanone Formula: C39H53N3O2 MolecularWeight: 595.85702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)CC(=O)N2CCCCC(C2)(CCN3CCC(CC3)N4CCCCC4)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)CC(=O)N2CCCC[C@](C2)(CCN3CCC(CC3)N4CCCCC4)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C39H53N3O2/c1-31(2)44-37-14-10-11-32(27-37)28-38(43)42-23-9-6-19-39(30-42,35-16-15-33-12-4-5-13-34(33)29-35)20-26-40-24-17-36(18-25-40)41-21-7-3-8-22-41/h4-5,10-16,27,29,31,36H,3,6-9,17-26,28,30H2,1-2H3/t39-/m1/s1