5-azanyl-3-[(Z)-1-cyano-2-(2-piperidin-1-ylquinolin-3-yl)ethenyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(Z)-1-cyano-2-(2-piperidin-1-ylquinolin-3-yl)ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-1-cyano-2-[2-(1-piperidyl)-3-quinolyl]vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-1-cyano-2-[2-(1-piperidinyl)-3-quinolinyl]ethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-1-cyano-2-(2-piperidin-1-ylquinolin-3-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-1-cyano-2-(2-piperidino-3-quinolyl)vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C27H23N7 MolecularWeight: 445.51842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=CC=CC=C3C=C2C=C(C#N)C4=NN(C(=C4C#N)N)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=NC3=CC=CC=C3C=C2/C=C(\C#N)/C4=NN(C(=C4C#N)N)C5=CC=CC=C5

InChI

InChI=1S/C27H23N7/c28-17-21(25-23(18-29)26(30)34(32-25)22-10-3-1-4-11-22)16-20-15-19-9-5-6-12-24(19)31-27(20)33-13-7-2-8-14-33/h1,3-6,9-12,15-16H,2,7-8,13-14,30H2/b21-16+