5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 5-amino-7-(4-benzylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-(4-benzylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-(4-benzylpiperazino)-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H24F2N4O3 MolecularWeight: 454.469166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCN(CC4)CC5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCN(CC4)CC5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C24H24F2N4O3/c25-18-20(27)17-21(30(15-6-7-15)13-16(23(17)31)24(32)33)19(26)22(18)29-10-8-28(9-11-29)12-14-4-2-1-3-5-14/h1-5,13,15H,6-12,27H2,(H,32,33)