1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylphenyl)pyrazole-4-carboxamide

Systemtic Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylphenyl)pyrazole-4-carboxamide Openeye Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(p-tolyl)pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylphenyl)-4-pyrazolecarboxamide IUPAC Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylphenyl)pyrazole-4-carboxamide Traditional Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(p-tolyl)pyrazole-4-carboxamide Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)CCC#N

InChI

InChI=1S/C22H20N4O3/c1-15-3-6-17(7-4-15)24-22(27)18-14-26(10-2-9-23)25-21(18)16-5-8-19-20(13-16)29-12-11-28-19/h3-8,13-14H,2,10-12H2,1H3,(H,24,27)