(E)-N-butyl-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-butyl-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-butyl-2-cyano-prop-2-enamide CAS Name: (E)-N-butyl-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-butyl-2-cyanoprop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-butyl-2-cyano-acrylamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C26H28N4O3/c1-4-5-13-28-26(31)21(16-27)14-22-18-30(17-19-9-7-6-8-10-19)29-25(22)20-11-12-23(32-2)24(15-20)33-3/h6-12,14-15,18H,4-5,13,17H2,1-3H3,(H,28,31)/b21-14+