2-azanyl-4-methyl-N-[3-oxidanyl-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-4-yl]pentanamide

Systemtic Name: 2-azanyl-4-methyl-N-[3-oxidanyl-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-4-yl]pentanamide Openeye Name: 2-amino-N-[3-hydroxy-1-[2-[3-(2-pyridyl)phenyl]ethyl]azepan-4-yl]-4-methyl-pentanamide CAS Name: 2-amino-N-[3-hydroxy-1-[2-[3-(2-pyridinyl)phenyl]ethyl]-4-azepanyl]-4-methylpentanamide IUPAC Name: 2-amino-N-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-4-yl]-4-methylpentanamide Traditional Name: 2-amino-N-[3-hydroxy-1-[2-[3-(2-pyridyl)phenyl]ethyl]azepan-4-yl]-4-methyl-valeramide Formula: C25H36N4O2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1O)CCC2=CC=CC(=C2)C3=CC=CC=N3)N

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1O)CCC2=CC=CC(=C2)C3=CC=CC=N3)N

InChI

InChI=1S/C25H36N4O2/c1-18(2)15-21(26)25(31)28-23-10-6-13-29(17-24(23)30)14-11-19-7-5-8-20(16-19)22-9-3-4-12-27-22/h3-5,7-9,12,16,18,21,23-24,30H,6,10-11,13-15,17,26H2,1-2H3,(H,28,31)