(E)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-propenenitrile IUPAC Name: (E)-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(2-pyrimidyl)piperazine-1-carbonyl]acrylonitrile Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C(C#N)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C(\C#N)/C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C25H26N6O2/c1-18-15-20(19(2)31(18)22-5-7-23(33-3)8-6-22)16-21(17-26)24(32)29-11-13-30(14-12-29)25-27-9-4-10-28-25/h4-10,15-16H,11-14H2,1-3H3/b21-16+