3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(2-thienyl)ethyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-thiophen-2-ylethyl)-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(2-thienyl)ethyl]pyrazole-4-carboxamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCC4=CC=CS4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCC4=CC=CS4

InChI

InChI=1S/C20H21N3O3S/c1-23-13-16(20(24)21-8-7-15-4-2-11-27-15)19(22-23)14-5-6-17-18(12-14)26-10-3-9-25-17/h2,4-6,11-13H,3,7-10H2,1H3,(H,21,24)