N-[2-(azepan-1-yl)phenyl]-2-pyrazol-1-yl-propanamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-pyrazol-1-yl-propanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-pyrazol-1-yl-propanamide CAS Name: N-[2-(1-azepanyl)phenyl]-2-(1-pyrazolyl)propanamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-pyrazol-1-ylpropanamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-pyrazol-1-yl-propionamide Formula: C18H24N4O MolecularWeight: 312.40936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1N2CCCCCC2)N3C=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1N2CCCCCC2)N3C=CC=N3

InChI

InChI=1S/C18H24N4O/c1-15(22-14-8-11-19-22)18(23)20-16-9-4-5-10-17(16)21-12-6-2-3-7-13-21/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3,(H,20,23)