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

Systemtic Name: 2-phenyl-3-[(4-piperazin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxylic acid Openeye Name: 2-phenyl-3-[(4-piperazin-1-yl-1-piperidyl)methyl]quinoline-4-carboxylic acid CAS Name: 2-phenyl-3-[[4-(1-piperazinyl)-1-piperidinyl]methyl]-4-quinolinecarboxylic acid IUPAC Name: 2-phenyl-3-[(4-piperazin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxylic acid Traditional Name: 2-phenyl-3-[(4-piperazinopiperidino)methyl]cinchoninic acid Formula: C26H30N4O2 MolecularWeight: 430.542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCNCC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1N2CCNCC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H30N4O2/c31-26(32)24-21-8-4-5-9-23(21)28-25(19-6-2-1-3-7-19)22(24)18-29-14-10-20(11-15-29)30-16-12-27-13-17-30/h1-9,20,27H,10-18H2,(H,31,32)