3-[[4-(N-cyano-N'-methyl-carbamimidoyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-(N-cyano-N'-methyl-carbamimidoyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(N-cyano-N'-methyl-carbamimidoyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[(cyanoamino)-methyliminomethyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(N-cyano-N'-methylcarbamimidoyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-(N-cyano-N'-methyl-amidino)piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C24H24N6O2 MolecularWeight: 428.48636

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CN=C(NC#N)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H24N6O2/c1-26-24(27-16-25)30-13-11-29(12-14-30)15-19-21(23(31)32)18-9-5-6-10-20(18)28-22(19)17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,26,27)(H,31,32)