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

Systemtic Name: (E)-N-butyl-2-cyano-3-[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-butyl-2-cyano-prop-2-enamide CAS Name: (E)-N-butyl-2-cyano-3-[3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-butyl-2-cyanoprop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(3-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=C2)OC)CC3=CC=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2/c1-3-4-13-27-25(30)21(16-26)14-22-18-29(17-19-9-6-5-7-10-19)28-24(22)20-11-8-12-23(15-20)31-2/h5-12,14-15,18H,3-4,13,17H2,1-2H3,(H,27,30)/b21-14+