3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-methyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(5-ethyl-2-thienyl)methyl]-1-methyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(5-ethyl-2-thiophenyl)methyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(5-ethyl-2-thienyl)methyl]-1-methyl-pyrazole-4-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CNC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CCC1=CC=C(S1)CNC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C21H23N3O3S/c1-3-15-6-7-16(28-15)12-22-21(25)17-13-24(2)23-20(17)14-5-8-18-19(11-14)27-10-4-9-26-18/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,22,25)