ethyl 4-[(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]acryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)OC)C)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)/C(=C/C2=C(N(C(=C2)C)C3=CC=C(C=C3)OC)C)/C#N

InChI

InChI=1S/C24H28N4O4/c1-5-32-24(30)27-12-10-26(11-13-27)23(29)20(16-25)15-19-14-17(2)28(18(19)3)21-6-8-22(31-4)9-7-21/h6-9,14-15H,5,10-13H2,1-4H3/b20-15+