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

Systemtic Name: N-(2-bromophenyl)-1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide Openeye Name: N-(2-bromophenyl)-1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide CAS Name: N-(2-bromophenyl)-1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolecarboxamide IUPAC Name: N-(2-bromophenyl)-1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide Traditional Name: N-(2-bromophenyl)-1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C(=O)NC4=CC=CC=C4Br)CCC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C(=O)NC4=CC=CC=C4Br)CCC#N

InChI

InChI=1S/C21H17BrN4O3/c22-16-4-1-2-5-17(16)24-21(27)15-13-26(9-3-8-23)25-20(15)14-6-7-18-19(12-14)29-11-10-28-18/h1-2,4-7,12-13H,3,9-11H2,(H,24,27)