(E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[2-(2-oxo-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[2-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[2-(2-keto-2-pyrrolidino-ethoxy)phenyl]acrylamide Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CC=CC=C3OCC(=O)N4CCCC4)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=CC=C3OCC(=O)N4CCCC4)/C#N

InChI

InChI=1S/C27H27N5O4/c1-19-25(27(35)32(30(19)2)22-11-4-3-5-12-22)29-26(34)21(17-28)16-20-10-6-7-13-23(20)36-18-24(33)31-14-8-9-15-31/h3-7,10-13,16H,8-9,14-15,18H2,1-2H3,(H,29,34)/b21-16+