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

Systemtic Name: 6-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide Openeye Name: 6-(p-tolyl)-N-[3-(pyrrolidin-1-ylmethyl)-7-quinolyl]pyridine-3-carboxamide CAS Name: 6-(4-methylphenyl)-N-[3-(1-pyrrolidinylmethyl)-7-quinolinyl]-3-pyridinecarboxamide IUPAC Name: 6-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide Traditional Name: 6-(p-tolyl)-N-[3-(pyrrolidinomethyl)-7-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=NC=C(C=C4C=C3)CN5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)NC3=CC4=NC=C(C=C4C=C3)CN5CCCC5

InChI

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