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

Systemtic Name: 5-azanyl-3-[(Z)-1-cyano-2-(3-nitro-4-piperidin-1-yl-phenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-1-cyano-2-[3-nitro-4-(1-piperidyl)phenyl]vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-1-cyano-2-[3-nitro-4-(1-piperidinyl)phenyl]ethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-1-cyano-2-(3-nitro-4-piperidin-1-ylphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-1-cyano-2-(3-nitro-4-piperidino-phenyl)vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Formula: C20H21N7O3 MolecularWeight: 407.42584

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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)CCO)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O3/c21-12-15(19-16(13-22)20(23)26(24-19)8-9-28)10-14-4-5-17(18(11-14)27(29)30)25-6-2-1-3-7-25/h4-5,10-11,28H,1-3,6-9,23H2/b15-10+