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

Systemtic Name: (E)-3-[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-[(4-methyl-1-piperazinyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazine-1-carbonyl)acrylonitrile Formula: C25H24BrN5O2 MolecularWeight: 506.39436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN5O2/c1-29-10-12-30(13-11-29)25(32)19(16-27)14-20-17-31(21-6-4-3-5-7-21)28-24(20)18-8-9-23(33-2)22(26)15-18/h3-9,14-15,17H,10-13H2,1-2H3/b19-14+