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

Systemtic Name: 5-azanyl-3-[(Z)-1-cyano-2-[3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-2-[4-(4-benzyl-1-piperidyl)-3-nitro-phenyl]-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-1-cyano-2-[3-nitro-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]ethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-2-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-2-[4-(4-benzylpiperidino)-3-nitro-phenyl]-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C31H27N7O2 MolecularWeight: 529.59178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)C=C(C#N)C4=NN(C(=C4C#N)N)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)/C=C(\C#N)/C4=NN(C(=C4C#N)N)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H27N7O2/c32-20-25(30-27(21-33)31(34)37(35-30)26-9-5-2-6-10-26)18-24-11-12-28(29(19-24)38(39)40)36-15-13-23(14-16-36)17-22-7-3-1-4-8-22/h1-12,18-19,23H,13-17,34H2/b25-18+