1-[4-(dimethylaminomethyl)phenyl]-6-fluoranyl-7-(3-methyl-4-phenyl-piperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[4-(dimethylaminomethyl)phenyl]-6-fluoranyl-7-(3-methyl-4-phenyl-piperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[4-(dimethylaminomethyl)phenyl]-6-fluoro-7-(3-methyl-4-phenyl-piperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[4-(dimethylaminomethyl)phenyl]-6-fluoro-7-(3-methyl-4-phenyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[4-(dimethylaminomethyl)phenyl]-6-fluoro-7-(3-methyl-4-phenylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[4-(dimethylaminomethyl)phenyl]-6-fluoro-4-keto-7-(3-methyl-4-phenyl-piperazino)quinoline-3-carboxylic acid Formula: C30H31FN4O3 MolecularWeight: 514.590543

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)CN(C)C)F

Isomeric SMILES

CC1CN(CCN1C2=CC=CC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)CN(C)C)F

InChI

InChI=1S/C30H31FN4O3/c1-20-17-33(13-14-34(20)22-7-5-4-6-8-22)28-16-27-24(15-26(28)31)29(36)25(30(37)38)19-35(27)23-11-9-21(10-12-23)18-32(2)3/h4-12,15-16,19-20H,13-14,17-18H2,1-3H3,(H,37,38)