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

Systemtic Name: 5-azanyl-3-[(Z)-1-cyano-2-[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-1-cyano-2-[4-(4-methyl-1-piperidyl)-3-nitro-phenyl]vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-1-cyano-2-[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]ethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-1-cyano-2-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-1-cyano-2-[4-(4-methylpiperidino)-3-nitro-phenyl]vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C=C(C#N)C3=NN(C(=C3C#N)N)CCO)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)/C=C(\C#N)/C3=NN(C(=C3C#N)N)CCO)[N+](=O)[O-]

InChI

InChI=1S/C21H23N7O3/c1-14-4-6-26(7-5-14)18-3-2-15(11-19(18)28(30)31)10-16(12-22)20-17(13-23)21(24)27(25-20)8-9-29/h2-3,10-11,14,29H,4-9,24H2,1H3/b16-10+