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

Systemtic Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-isoamoxy-3-methoxy-phenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C27H30N4O4 MolecularWeight: 474.5515

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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(=C(C=C3)OCCC(C)C)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC(=C(C=C3)OCCC(C)C)OC)/C#N

InChI

InChI=1S/C27H30N4O4/c1-18(2)13-14-35-23-12-11-20(16-24(23)34-5)15-21(17-28)26(32)29-25-19(3)30(4)31(27(25)33)22-9-7-6-8-10-22/h6-12,15-16,18H,13-14H2,1-5H3,(H,29,32)/b21-15+