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

Systemtic Name: 5-azanyl-3-[(Z)-1-cyano-2-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-1-cyano-2-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-1-cyano-2-[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]ethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-1-cyano-2-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-1-cyano-2-[4-(4-methylpiperazino)-3-nitro-phenyl]vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Formula: C20H22N8O3 MolecularWeight: 422.44048

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C=C(C#N)C3=NN(C(=C3C#N)N)CCO)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)/C=C(\C#N)/C3=NN(C(=C3C#N)N)CCO)[N+](=O)[O-]

InChI

InChI=1S/C20H22N8O3/c1-25-4-6-26(7-5-25)17-3-2-14(11-18(17)28(30)31)10-15(12-21)19-16(13-22)20(23)27(24-19)8-9-29/h2-3,10-11,29H,4-9,23H2,1H3/b15-10+