(E)-3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[3-(4-methoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-[(4-methyl-1-piperazinyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazine-1-carbonyl)acrylonitrile Formula: C25H24N6O4 MolecularWeight: 472.49586

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4)C#N

Isomeric SMILES

CN1CCN(CC1)C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4)/C#N

InChI

InChI=1S/C25H24N6O4/c1-28-10-12-29(13-11-28)25(32)19(16-26)14-20-17-30(21-6-4-3-5-7-21)27-24(20)18-8-9-23(35-2)22(15-18)31(33)34/h3-9,14-15,17H,10-13H2,1-2H3/b19-14+