2-phenyl-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-phenyl-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]quinoline-4-carboxamide Openeye Name: 3-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 2-phenyl-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4-quinolinecarboxamide IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: 3-[(4-benzylpiperazino)methyl]-2-phenyl-cinchoninamide Formula: C28H28N4O MolecularWeight: 436.54812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C28H28N4O/c29-28(33)26-23-13-7-8-14-25(23)30-27(22-11-5-2-6-12-22)24(26)20-32-17-15-31(16-18-32)19-21-9-3-1-4-10-21/h1-14H,15-20H2,(H2,29,33)