(phenylmethyl) 7-[4-[7-(4-azanyl-2-methoxy-6-oxidanylidene-pyrimidin-1-yl)heptyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 7-[4-[7-(4-azanyl-2-methoxy-6-oxidanylidene-pyrimidin-1-yl)heptyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: benzyl 7-[4-[7-(4-amino-2-methoxy-6-oxo-pyrimidin-1-yl)heptyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[4-[7-(4-amino-2-methoxy-6-oxo-1-pyrimidinyl)heptyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-[4-[7-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)heptyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[4-[7-(4-amino-6-keto-2-methoxy-pyrimidin-1-yl)heptyl]piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid benzyl ester Formula: C36H43FN6O5 MolecularWeight: 658.762223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=CC(=O)N1CCCCCCCN2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)OCC5=CC=CC=C5)C6CC6)F)N

Isomeric SMILES

COC1=NC(=CC(=O)N1CCCCCCCN2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)OCC5=CC=CC=C5)C6CC6)F)N

InChI

InChI=1S/C36H43FN6O5/c1-47-36-39-32(38)22-33(44)42(36)15-9-4-2-3-8-14-40-16-18-41(19-17-40)31-21-30-27(20-29(31)37)34(45)28(23-43(30)26-12-13-26)35(46)48-24-25-10-6-5-7-11-25/h5-7,10-11,20-23,26H,2-4,8-9,12-19,24,38H2,1H3