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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-thienylmethyl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(thiophen-2-ylmethyl)-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-thenyl)pyrazole-4-carboxamide Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=CC=CS4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C19H19N3O3S/c1-22-12-15(19(23)20-11-14-4-2-9-26-14)18(21-22)13-5-6-16-17(10-13)25-8-3-7-24-16/h2,4-6,9-10,12H,3,7-8,11H2,1H3,(H,20,23)