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

Systemtic Name: [(3S)-3-naphthalen-2-yl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]azepan-1-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-3-(2-naphthyl)-3-[2-[4-(1-piperidyl)-1-piperidyl]ethyl]azepan-1-yl]methanone CAS Name: [(3S)-3-(2-naphthalenyl)-3-[2-[4-(1-piperidinyl)-1-piperidinyl]ethyl]-1-azepanyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-3-naphthalen-2-yl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]azepan-1-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-3-(2-naphthyl)-3-[2-(4-piperidinopiperidino)ethyl]azepan-1-yl]methanone Formula: C38H51N3O2 MolecularWeight: 581.83044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H51N3O2/c1-30(2)43-36-14-10-13-33(28-36)37(42)41-23-9-6-19-38(29-41,34-16-15-31-11-4-5-12-32(31)27-34)20-26-39-24-17-35(18-25-39)40-21-7-3-8-22-40/h4-5,10-16,27-28,30,35H,3,6-9,17-26,29H2,1-2H3/t38-/m1/s1