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

Systemtic Name: 5-azanyl-3-[(Z)-1-cyano-2-[5-nitro-2,4-di(piperidin-1-yl)phenyl]ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-1-cyano-2-[5-nitro-2,4-bis(1-piperidyl)phenyl]vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-1-cyano-2-[5-nitro-2,4-bis(1-piperidinyl)phenyl]ethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-1-cyano-2-[5-nitro-2,4-di(piperidin-1-yl)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-1-cyano-2-(5-nitro-2,4-dipiperidino-phenyl)vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C29H30N8O2 MolecularWeight: 522.6009

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2C=C(C#N)C3=NN(C(=C3C#N)N)C4=CC=CC=C4)[N+](=O)[O-])N5CCCCC5

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2/C=C(\C#N)/C3=NN(C(=C3C#N)N)C4=CC=CC=C4)[N+](=O)[O-])N5CCCCC5

InChI

InChI=1S/C29H30N8O2/c30-19-22(28-24(20-31)29(32)36(33-28)23-10-4-1-5-11-23)16-21-17-27(37(38)39)26(35-14-8-3-9-15-35)18-25(21)34-12-6-2-7-13-34/h1,4-5,10-11,16-18H,2-3,6-9,12-15,32H2/b22-16+