6-(4-methylphenyl)-2-(pyrrolidin-1-ylmethyl)-N-quinolin-6-yl-pyridine-3-carboxamide

Systemtic Name: 6-(4-methylphenyl)-2-(pyrrolidin-1-ylmethyl)-N-quinolin-6-yl-pyridine-3-carboxamide Openeye Name: 6-(p-tolyl)-2-(pyrrolidin-1-ylmethyl)-N-(6-quinolyl)pyridine-3-carboxamide CAS Name: 6-(4-methylphenyl)-2-(1-pyrrolidinylmethyl)-N-(6-quinolinyl)-3-pyridinecarboxamide IUPAC Name: 6-(4-methylphenyl)-2-(pyrrolidin-1-ylmethyl)-N-quinolin-6-ylpyridine-3-carboxamide Traditional Name: 6-(p-tolyl)-2-(pyrrolidinomethyl)-N-(6-quinolyl)nicotinamide Formula: C27H26N4O MolecularWeight: 422.52154

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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=CC=C4)CN5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=CC=C4)CN5CCCC5

InChI

InChI=1S/C27H26N4O/c1-19-6-8-20(9-7-19)25-13-11-23(26(30-25)18-31-15-2-3-16-31)27(32)29-22-10-12-24-21(17-22)5-4-14-28-24/h4-14,17H,2-3,15-16,18H2,1H3,(H,29,32)