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

Systemtic Name: 6-(4-methylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]pyridine-3-carboxamide Openeye Name: 6-(p-tolyl)-N-[2-(pyrrolidin-1-ylmethyl)-6-quinolyl]pyridine-3-carboxamide CAS Name: 6-(4-methylphenyl)-N-[2-(1-pyrrolidinylmethyl)-6-quinolinyl]-3-pyridinecarboxamide IUPAC Name: 6-(4-methylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]pyridine-3-carboxamide Traditional Name: 6-(p-tolyl)-N-[2-(pyrrolidinomethyl)-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=C(C=C4)CN5CCCC5

Isomeric SMILES

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

InChI

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