2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]quinoline-4-carboxamide hydrochloride

Systemtic Name: 2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]quinoline-4-carboxamide hydrochloride Openeye Name: 2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]quinoline-4-carboxamide hydrochloride CAS Name: 2-phenyl-N-[3-(1-pyrazolylmethyl)phenyl]-4-quinolinecarboxamide hydrochloride IUPAC Name: 2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]quinoline-4-carboxamide hydrochloride Traditional Name: 2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]cinchoninamide hydrochloride Formula: C26H21ClN4O MolecularWeight: 440.92414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC(=C4)CN5C=CC=N5.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC(=C4)CN5C=CC=N5.Cl

InChI

InChI=1S/C26H20N4O.ClH/c31-26(28-21-11-6-8-19(16-21)18-30-15-7-14-27-30)23-17-25(20-9-2-1-3-10-20)29-24-13-5-4-12-22(23)24;/h1-17H,18H2,(H,28,31);1H