(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-[oxo(1-pyrrolidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)acrylonitrile Formula: C19H19ClN4O MolecularWeight: 354.83336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)N2CCCC2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)N2CCCC2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H19ClN4O/c1-14-17(11-16(12-21)19(25)23-9-5-6-10-23)18(20)24(22-14)13-15-7-3-2-4-8-15/h2-4,7-8,11H,5-6,9-10,13H2,1H3/b16-11+