6-azanyl-2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]quinoline-4-carboxylic acid

Systemtic Name: 6-azanyl-2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 6-amino-2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-amino-2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-amino-2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 6-amino-2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]cinchoninic acid Formula: C27H25ClN4O2 MolecularWeight: 472.966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=C(C=C3)N)C(=C2)C(=O)O)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=C(C=C3)N)C(=C2)C(=O)O)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H25ClN4O2/c28-20-8-6-19(7-9-20)26(18-4-2-1-3-5-18)32-14-12-31(13-15-32)25-17-23(27(33)34)22-16-21(29)10-11-24(22)30-25/h1-11,16-17,26H,12-15,29H2,(H,33,34)