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

Systemtic Name: (E)-2-(4-methylpiperazin-1-yl)carbonyl-3-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-2-[(4-methyl-1-piperazinyl)-oxomethyl]-3-[1-phenyl-3-(4-prop-2-enoxyphenyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(4-methylpiperazine-1-carbonyl)-3-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-3-[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazine-1-carbonyl)acrylonitrile Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC=C)C4=CC=CC=C4)C#N

Isomeric SMILES

CN1CCN(CC1)C(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)OCC=C)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H27N5O2/c1-3-17-34-25-11-9-21(10-12-25)26-23(20-32(29-26)24-7-5-4-6-8-24)18-22(19-28)27(33)31-15-13-30(2)14-16-31/h3-12,18,20H,1,13-17H2,2H3/b22-18+