6-cyclopropyl-9-fluoranyl-2-oxidanylidene-4-phenyl-8-piperazin-1-yl-3,4,5,10b-tetrahydro-1H-pyrimido[5,4-c]quinoline-4a-carboxylic acid

Systemtic Name: 6-cyclopropyl-9-fluoranyl-2-oxidanylidene-4-phenyl-8-piperazin-1-yl-3,4,5,10b-tetrahydro-1H-pyrimido[5,4-c]quinoline-4a-carboxylic acid Openeye Name: 6-cyclopropyl-9-fluoro-2-oxo-4-phenyl-8-piperazin-1-yl-3,4,5,10b-tetrahydro-1H-pyrimido[5,4-c]quinoline-4a-carboxylic acid CAS Name: 6-cyclopropyl-9-fluoro-2-oxo-4-phenyl-8-(1-piperazinyl)-3,4,5,10b-tetrahydro-1H-pyrimido[5,4-c]quinoline-4a-carboxylic acid IUPAC Name: 6-cyclopropyl-9-fluoro-2-oxo-4-phenyl-8-piperazin-1-yl-3,4,5,10b-tetrahydro-1H-pyrimido[5,4-c]quinoline-4a-carboxylic acid Traditional Name: 6-cyclopropyl-9-fluoro-2-keto-4-phenyl-8-piperazino-3,4,5,10b-tetrahydro-1H-pyrimido[5,4-c]quinoline-4a-carboxylic acid Formula: C25H28FN5O3 MolecularWeight: 465.519923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CC3(C(NC(=O)NC3C4=CC(=C(C=C42)N5CCNCC5)F)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1CC1N2CC3(C(NC(=O)NC3C4=CC(=C(C=C42)N5CCNCC5)F)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C25H28FN5O3/c26-18-12-17-19(13-20(18)30-10-8-27-9-11-30)31(16-6-7-16)14-25(23(32)33)21(15-4-2-1-3-5-15)28-24(34)29-22(17)25/h1-5,12-13,16,21-22,27H,6-11,14H2,(H,32,33)(H2,28,29,34)