(Z)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (Z)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (Z)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: (Z)-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (Z)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C27H28N4O2 MolecularWeight: 440.53682

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O2/c1-20-17-22(21(2)31(20)25-9-11-26(33-3)12-10-25)18-23(19-28)27(32)30-15-13-29(14-16-30)24-7-5-4-6-8-24/h4-12,17-18H,13-16H2,1-3H3/b23-18-