(E)-2-cyano-N-(2,6-diethylphenyl)-3-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2,6-diethylphenyl)-3-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2,6-diethylphenyl)-3-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2,6-diethylphenyl)-3-[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2,6-diethylphenyl)-3-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2,6-diethylphenyl)-3-(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)acrylamide Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(=CC2=C(N(N=C2C)C3=CC=CC=C3)N4CCCC4)C#N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)/C(=C/C2=C(N(N=C2C)C3=CC=CC=C3)N4CCCC4)/C#N

InChI

InChI=1S/C28H31N5O/c1-4-21-12-11-13-22(5-2)26(21)30-27(34)23(19-29)18-25-20(3)31-33(24-14-7-6-8-15-24)28(25)32-16-9-10-17-32/h6-8,11-15,18H,4-5,9-10,16-17H2,1-3H3,(H,30,34)/b23-18+