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

Systemtic Name: 6-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)-N-quinolin-6-yl-pyridine-3-carboxamide Openeye Name: 6-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)-N-(6-quinolyl)pyridine-3-carboxamide CAS Name: 6-(4-methoxyphenyl)-2-(1-pyrrolidinylmethyl)-N-(6-quinolinyl)-3-pyridinecarboxamide IUPAC Name: 6-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)-N-quinolin-6-ylpyridine-3-carboxamide Traditional Name: 6-(4-methoxyphenyl)-2-(pyrrolidinomethyl)-N-(6-quinolyl)nicotinamide Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=CC=C4)CN5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=CC=C4)CN5CCCC5

InChI

InChI=1S/C27H26N4O2/c1-33-22-9-6-19(7-10-22)25-13-11-23(26(30-25)18-31-15-2-3-16-31)27(32)29-21-8-12-24-20(17-21)5-4-14-28-24/h4-14,17H,2-3,15-16,18H2,1H3,(H,29,32)