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

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrazole-4-carboxamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrazole-4-carboxamide Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CCNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CCNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3/c25-21(18-13-23-24(15-18)14-17-4-2-1-3-5-17)22-9-8-16-6-7-19-20(12-16)27-11-10-26-19/h1-7,12-13,15H,8-11,14H2,(H,22,25)