ethyl (E)-2-cyano-3-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)acrylic acid ethyl ester Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(N(N=C1C)C2=CC=CC=C2)N3CCCC3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(N(N=C1C)C2=CC=CC=C2)N3CCCC3)/C#N

InChI

InChI=1S/C20H22N4O2/c1-3-26-20(25)16(14-21)13-18-15(2)22-24(17-9-5-4-6-10-17)19(18)23-11-7-8-12-23/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3/b16-13+