1-cyclopropyl-7-(4-ethanoylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-N-(phenylmethyl)quinoline-3-carboxamide

Systemtic Name: 1-cyclopropyl-7-(4-ethanoylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-N-(phenylmethyl)quinoline-3-carboxamide Openeye Name: 7-(4-acetylpiperazin-1-yl)-N-benzyl-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxamide CAS Name: 7-(4-acetyl-1-piperazinyl)-1-cyclopropyl-6-fluoro-4-oxo-N-(phenylmethyl)-3-quinolinecarboxamide IUPAC Name: 7-(4-acetylpiperazin-1-yl)-N-benzyl-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide Traditional Name: 7-(4-acetylpiperazino)-N-benzyl-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxamide Formula: C26H27FN4O3 MolecularWeight: 462.515983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCC4=CC=CC=C4)C5CC5)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCC4=CC=CC=C4)C5CC5)F

InChI

InChI=1S/C26H27FN4O3/c1-17(32)29-9-11-30(12-10-29)24-14-23-20(13-22(24)27)25(33)21(16-31(23)19-7-8-19)26(34)28-15-18-5-3-2-4-6-18/h2-6,13-14,16,19H,7-12,15H2,1H3,(H,28,34)