N-[1-[(3S,6R)-3,6-dimethylazepan-1-yl]propan-2-yl]-N-pyridin-2-yl-propanamide

Systemtic Name: N-[1-[(3S,6R)-3,6-dimethylazepan-1-yl]propan-2-yl]-N-pyridin-2-yl-propanamide Openeye Name: N-[2-[(3S,6R)-3,6-dimethylazepan-1-yl]-1-methyl-ethyl]-N-(2-pyridyl)propanamide CAS Name: N-[1-[(3S,6R)-3,6-dimethyl-1-azepanyl]propan-2-yl]-N-(2-pyridinyl)propanamide IUPAC Name: N-[1-[(3S,6R)-3,6-dimethylazepan-1-yl]propan-2-yl]-N-pyridin-2-ylpropanamide Traditional Name: N-[2-[(3S,6R)-3,6-dimethylazepan-1-yl]-1-methyl-ethyl]-N-(2-pyridyl)propionamide Formula: C19H31N3O MolecularWeight: 317.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=N1)C(C)CN2CC(CCC(C2)C)C

Isomeric SMILES

CCC(=O)N(C1=CC=CC=N1)C(C)CN2C[C@@H](CC[C@@H](C2)C)C

InChI

InChI=1S/C19H31N3O/c1-5-19(23)22(18-8-6-7-11-20-18)17(4)14-21-12-15(2)9-10-16(3)13-21/h6-8,11,15-17H,5,9-10,12-14H2,1-4H3/t15-,16+,17?