7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoranyl-4-oxidanylidene-2-phenyl-1H-quinoline-3-carbonitrile

Systemtic Name: 7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoranyl-4-oxidanylidene-2-phenyl-1H-quinoline-3-carbonitrile Openeye Name: 7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carbonitrile CAS Name: 7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carbonitrile IUPAC Name: 7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carbonitrile Traditional Name: 7-[(3R,5S)-3,5-dimethylpiperazino]-6-fluoro-4-keto-2-phenyl-1H-quinoline-3-carbonitrile Formula: C22H21FN4O MolecularWeight: 376.426743

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=C3C(=C2)NC(=C(C3=O)C#N)C4=CC=CC=C4)F

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=C(C=C3C(=C2)NC(=C(C3=O)C#N)C4=CC=CC=C4)F

InChI

InChI=1S/C22H21FN4O/c1-13-11-27(12-14(2)25-13)20-9-19-16(8-18(20)23)22(28)17(10-24)21(26-19)15-6-4-3-5-7-15/h3-9,13-14,25H,11-12H2,1-2H3,(H,26,28)/t13-,14+