3-azanyl-5-[(Z)-1-cyano-2-[2-(4-methylpiperidin-1-yl)quinolin-4-yl]ethenyl]-2-phenyl-1H-pyrazol-2-ium-4-carbonitrile

Systemtic Name: 3-azanyl-5-[(Z)-1-cyano-2-[2-(4-methylpiperidin-1-yl)quinolin-4-yl]ethenyl]-2-phenyl-1H-pyrazol-2-ium-4-carbonitrile Openeye Name: 3-amino-5-[(Z)-1-cyano-2-[2-(4-methyl-1-piperidyl)-4-quinolyl]vinyl]-2-phenyl-1H-pyrazol-2-ium-4-carbonitrile CAS Name: 3-amino-5-[(Z)-1-cyano-2-[2-(4-methyl-1-piperidinyl)-4-quinolinyl]ethenyl]-2-phenyl-1H-pyrazol-2-ium-4-carbonitrile IUPAC Name: 3-amino-5-[(Z)-1-cyano-2-[2-(4-methylpiperidin-1-yl)quinolin-4-yl]ethenyl]-2-phenyl-1H-pyrazol-2-ium-4-carbonitrile Traditional Name: 3-amino-5-[(Z)-1-cyano-2-[2-(4-methylpiperidino)-4-quinolyl]vinyl]-2-phenyl-1H-pyrazol-2-ium-4-carbonitrile Formula: C28H26N7+ MolecularWeight: 460.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C=C(C#N)C4=C(C(=[N+](N4)C5=CC=CC=C5)N)C#N

Isomeric SMILES

CC1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)/C=C(\C#N)/C4=C(C(=[N+](N4)C5=CC=CC=C5)N)C#N

InChI

InChI=1S/C28H25N7/c1-19-11-13-34(14-12-19)26-16-20(23-9-5-6-10-25(23)32-26)15-21(17-29)27-24(18-30)28(31)35(33-27)22-7-3-2-4-8-22/h2-10,15-16,19H,11-14H2,1H3,(H2,31,33)/p+1/b21-15+