3-acetamido-N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide

Systemtic Name: 3-acetamido-N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide Openeye Name: 3-acetamido-N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-3-(4-methoxyphenyl)propanamide CAS Name: 3-acetamido-N-[[6-(1-azepanyl)-3-pyridinyl]methyl]-3-(4-methoxyphenyl)propanamide IUPAC Name: 3-acetamido-N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide Traditional Name: 3-acetamido-N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-3-(4-methoxyphenyl)propionamide Formula: C24H32N4O3 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCC1=CN=C(C=C1)N2CCCCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NC(CC(=O)NCC1=CN=C(C=C1)N2CCCCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H32N4O3/c1-18(29)27-22(20-8-10-21(31-2)11-9-20)15-24(30)26-17-19-7-12-23(25-16-19)28-13-5-3-4-6-14-28/h7-12,16,22H,3-6,13-15,17H2,1-2H3,(H,26,30)(H,27,29)