(E)-3-[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-3-[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-3-[3-(4-butoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-3-[3-(4-butoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-3-[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-pyridylmethyl)acrylamide Formula: C30H29N5O2 MolecularWeight: 491.58356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C30H29N5O2/c1-3-4-15-37-27-12-13-28(22(2)16-27)29-25(21-35(34-29)26-10-6-5-7-11-26)17-24(18-31)30(36)33-20-23-9-8-14-32-19-23/h5-14,16-17,19,21H,3-4,15,20H2,1-2H3,(H,33,36)/b24-17+