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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C(=O)NCC4=CC=CC=C4)CCC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C(=O)NCC4=CC=CC=C4)CCC#N

InChI

InChI=1S/C22H20N4O3/c23-9-4-10-26-15-18(22(27)24-14-16-5-2-1-3-6-16)21(25-26)17-7-8-19-20(13-17)29-12-11-28-19/h1-3,5-8,13,15H,4,10-12,14H2,(H,24,27)