(E)-N-(3-methoxypropyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(3-methoxypropyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide CAS Name: (E)-N-(3-methoxypropyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(3-methoxypropyl)prop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-N-(3-methoxypropyl)acrylamide Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C=CC1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

COCCCNC(=O)/C=C/C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-26-13-6-12-22-20(25)11-10-18-16-24(15-17-7-3-2-4-8-17)23-21(18)19-9-5-14-27-19/h2-5,7-11,14,16H,6,12-13,15H2,1H3,(H,22,25)/b11-10+