N-[4-[4-(azepan-1-ylcarbonyl)quinolin-2-yl]phenyl]propanamide

Systemtic Name: N-[4-[4-(azepan-1-ylcarbonyl)quinolin-2-yl]phenyl]propanamide Openeye Name: N-[4-[4-(azepane-1-carbonyl)-2-quinolyl]phenyl]propanamide CAS Name: N-[4-[4-[1-azepanyl(oxo)methyl]-2-quinolinyl]phenyl]propanamide IUPAC Name: N-[4-[4-(azepane-1-carbonyl)quinolin-2-yl]phenyl]propanamide Traditional Name: N-[4-[4-(azepane-1-carbonyl)-2-quinolyl]phenyl]propionamide Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCCCC4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H27N3O2/c1-2-24(29)26-19-13-11-18(12-14-19)23-17-21(20-9-5-6-10-22(20)27-23)25(30)28-15-7-3-4-8-16-28/h5-6,9-14,17H,2-4,7-8,15-16H2,1H3,(H,26,29)