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

Systemtic Name: (E)-N-butyl-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enamide Openeye Name: (E)-N-butyl-2-cyano-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enamide CAS Name: (E)-N-butyl-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]-2-propenamide IUPAC Name: (E)-N-butyl-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enamide Traditional Name: (E)-N-butyl-2-cyano-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]acrylamide Formula: C20H27N5O MolecularWeight: 353.46128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O/c1-6-7-9-22-20(26)18(13-21)12-17-11-15(4)24(16(17)5)19-8-10-23-25(19)14(2)3/h8,10-12,14H,6-7,9H2,1-5H3,(H,22,26)/b18-12+