butyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: butyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoate Openeye Name: butyl (E)-2-cyano-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]-2-propenoic acid butyl ester IUPAC Name: butyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid butyl ester Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=C(N(C(=C1)C)C2=CC=NN2C(C)C)C)C#N

Isomeric SMILES

CCCCOC(=O)/C(=C/C1=C(N(C(=C1)C)C2=CC=NN2C(C)C)C)/C#N

InChI

InChI=1S/C20H26N4O2/c1-6-7-10-26-20(25)18(13-21)12-17-11-15(4)23(16(17)5)19-8-9-22-24(19)14(2)3/h8-9,11-12,14H,6-7,10H2,1-5H3/b18-12+