1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-piperazine; 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-piperazine; 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-piperazine; 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine; 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine; 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-piperazine; 1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C35H39ClFN5O3 MolecularWeight: 632.167263

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C18H21ClN2.C17H18FN3O3/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16;18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h2-10,18H,11-14H2,1H3;7-10,19H,1-6H2,(H,23,24)