5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-[2-(naphthalen-1-ylamino)ethylamino]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-[2-(naphthalen-1-ylamino)ethylamino]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-[2-(1-naphthylamino)ethylamino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-[2-(1-naphthalenylamino)ethylamino]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-[2-(naphthalen-1-ylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-[2-(1-naphthylamino)ethylamino]quinoline-3-carboxylic acid Formula: C25H22F2N4O3 MolecularWeight: 464.463986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)NCCNC4=CC=CC5=CC=CC=C54)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)NCCNC4=CC=CC5=CC=CC=C54)F)C(=O)O

InChI

InChI=1S/C25H22F2N4O3/c26-19-21(28)18-23(31(14-8-9-14)12-16(24(18)32)25(33)34)20(27)22(19)30-11-10-29-17-7-3-5-13-4-1-2-6-15(13)17/h1-7,12,14,29-30H,8-11,28H2,(H,33,34)