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

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-N-(3-ethoxypropyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-ethoxypropyl)-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]-N-(3-ethoxypropyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-N-(3-ethoxypropyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-ethoxypropyl)-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]acrylamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2/c1-6-28-11-7-9-23-21(27)19(14-22)13-18-12-16(4)25(17(18)5)20-8-10-24-26(20)15(2)3/h8,10,12-13,15H,6-7,9,11H2,1-5H3,(H,23,27)/b19-13+