(3R,5S)-3-(azepan-1-ylmethyl)-5-(2-chlorophenyl)-1-methyl-pyrrolidin-2-one

Systemtic Name: (3R,5S)-3-(azepan-1-ylmethyl)-5-(2-chlorophenyl)-1-methyl-pyrrolidin-2-one Openeye Name: (3R,5S)-3-(azepan-1-ylmethyl)-5-(2-chlorophenyl)-1-methyl-pyrrolidin-2-one CAS Name: (3R,5S)-3-(1-azepanylmethyl)-5-(2-chlorophenyl)-1-methyl-2-pyrrolidinone IUPAC Name: (3R,5S)-3-(azepan-1-ylmethyl)-5-(2-chlorophenyl)-1-methylpyrrolidin-2-one Traditional Name: (3R,5S)-3-(azepan-1-ylmethyl)-5-(2-chlorophenyl)-1-methyl-2-pyrrolidone Formula: C18H25ClN2O MolecularWeight: 320.8569

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(C1=O)CN2CCCCCC2)C3=CC=CC=C3Cl

Isomeric SMILES

CN1[C@@H](C[C@@H](C1=O)CN2CCCCCC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H25ClN2O/c1-20-17(15-8-4-5-9-16(15)19)12-14(18(20)22)13-21-10-6-2-3-7-11-21/h4-5,8-9,14,17H,2-3,6-7,10-13H2,1H3/t14-,17+/m1/s1