8-chloranyl-2-pyridin-3-yl-N-[4-(pyridin-4-ylmethyl)phenyl]quinoline-4-carboxamide

Systemtic Name: 8-chloranyl-2-pyridin-3-yl-N-[4-(pyridin-4-ylmethyl)phenyl]quinoline-4-carboxamide Openeye Name: 8-chloro-2-(3-pyridyl)-N-[4-(4-pyridylmethyl)phenyl]quinoline-4-carboxamide CAS Name: 8-chloro-2-(3-pyridinyl)-N-[4-(pyridin-4-ylmethyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 8-chloro-2-pyridin-3-yl-N-[4-(pyridin-4-ylmethyl)phenyl]quinoline-4-carboxamide Traditional Name: 8-chloro-2-(3-pyridyl)-N-[4-(4-pyridylmethyl)phenyl]cinchoninamide Formula: C27H19ClN4O MolecularWeight: 450.91896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)N=C(C=C2C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4)C5=CN=CC=C5

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)N=C(C=C2C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4)C5=CN=CC=C5

InChI

InChI=1S/C27H19ClN4O/c28-24-5-1-4-22-23(16-25(32-26(22)24)20-3-2-12-30-17-20)27(33)31-21-8-6-18(7-9-21)15-19-10-13-29-14-11-19/h1-14,16-17H,15H2,(H,31,33)