N-[3-(azepan-1-ylmethyl)quinolin-7-yl]-6-(4-methylphenyl)pyridine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylmethyl)quinolin-7-yl]-6-(4-methylphenyl)pyridine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylmethyl)-7-quinolyl]-6-(p-tolyl)pyridine-3-carboxamide CAS Name: N-[3-(1-azepanylmethyl)-7-quinolinyl]-6-(4-methylphenyl)-3-pyridinecarboxamide IUPAC Name: N-[3-(azepan-1-ylmethyl)quinolin-7-yl]-6-(4-methylphenyl)pyridine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylmethyl)-7-quinolyl]-6-(p-tolyl)nicotinamide Formula: C29H30N4O MolecularWeight: 450.5747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)NC3=CC4=NC=C(C=C4C=C3)CN5CCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)NC3=CC4=NC=C(C=C4C=C3)CN5CCCCCC5

InChI

InChI=1S/C29H30N4O/c1-21-6-8-23(9-7-21)27-13-11-25(19-31-27)29(34)32-26-12-10-24-16-22(18-30-28(24)17-26)20-33-14-4-2-3-5-15-33/h6-13,16-19H,2-5,14-15,20H2,1H3,(H,32,34)