2-phenyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide

Systemtic Name: 2-phenyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide Openeye Name: 2-phenyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide CAS Name: 2-phenyl-N-[[4-(1-pyrrolyl)phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide Traditional Name: 2-phenyl-N-(4-pyrrol-1-ylbenzyl)cinchoninamide Formula: C27H21N3O MolecularWeight: 403.47514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C27H21N3O/c31-27(28-19-20-12-14-22(15-13-20)30-16-6-7-17-30)24-18-26(21-8-2-1-3-9-21)29-25-11-5-4-10-23(24)25/h1-18H,19H2,(H,28,31)