6-(4-methylphenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]pyridine-3-carboxamide

Systemtic Name: 6-(4-methylphenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]pyridine-3-carboxamide Openeye Name: N-[2-(1-piperidylmethyl)-6-quinolyl]-6-(p-tolyl)pyridine-3-carboxamide CAS Name: 6-(4-methylphenyl)-N-[2-(1-piperidinylmethyl)-6-quinolinyl]-3-pyridinecarboxamide IUPAC Name: 6-(4-methylphenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]pyridine-3-carboxamide Traditional Name: N-[2-(piperidinomethyl)-6-quinolyl]-6-(p-tolyl)nicotinamide Formula: C28H28N4O MolecularWeight: 436.54812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(C=C4)CN5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(C=C4)CN5CCCCC5

InChI

InChI=1S/C28H28N4O/c1-20-5-7-21(8-6-20)26-13-10-23(18-29-26)28(33)31-24-12-14-27-22(17-24)9-11-25(30-27)19-32-15-3-2-4-16-32/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,31,33)