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

Systemtic Name: 5-azanyl-3-[(Z)-1-cyano-2-(3-nitro-4-piperidin-1-yl-phenyl)ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-1-cyano-2-[3-nitro-4-(1-piperidyl)phenyl]vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-1-cyano-2-[3-nitro-4-(1-piperidinyl)phenyl]ethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-1-cyano-2-(3-nitro-4-piperidin-1-ylphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-1-cyano-2-(3-nitro-4-piperidino-phenyl)vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C24H21N7O2 MolecularWeight: 439.46924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=C(C#N)C3=NN(C(=C3C#N)N)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)/C=C(\C#N)/C3=NN(C(=C3C#N)N)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N7O2/c25-15-18(23-20(16-26)24(27)30(28-23)19-7-3-1-4-8-19)13-17-9-10-21(22(14-17)31(32)33)29-11-5-2-6-12-29/h1,3-4,7-10,13-14H,2,5-6,11-12,27H2/b18-13+