2-phenyl-3-[[4-(propan-2-ylcarbamoyl)piperazin-1-yl]methyl]quinoline-4-carboxylic acid

Systemtic Name: 2-phenyl-3-[[4-(propan-2-ylcarbamoyl)piperazin-1-yl]methyl]quinoline-4-carboxylic acid Openeye Name: 3-[[4-(isopropylcarbamoyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[oxo-(propan-2-ylamino)methyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 2-phenyl-3-[[4-(propan-2-ylcarbamoyl)piperazin-1-yl]methyl]quinoline-4-carboxylic acid Traditional Name: 3-[[4-(isopropylcarbamoyl)piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3/c1-17(2)26-25(32)29-14-12-28(13-15-29)16-20-22(24(30)31)19-10-6-7-11-21(19)27-23(20)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,26,32)(H,30,31)