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

Systemtic Name: (E)-N-butyl-2-cyano-3-[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-N-butyl-2-cyano-prop-2-enamide CAS Name: (E)-N-butyl-2-cyano-3-[3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-N-butyl-2-cyanoprop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-N-butyl-2-cyano-acrylamide Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CN(N=C1C2=CC=CC=C2OC)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CN(N=C1C2=CC=CC=C2OC)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C25H26N4O2/c1-3-4-14-27-25(30)20(16-26)15-21-18-29(17-19-10-6-5-7-11-19)28-24(21)22-12-8-9-13-23(22)31-2/h5-13,15,18H,3-4,14,17H2,1-2H3,(H,27,30)/b20-15+