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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C20H21N3O3S/c1-13(18-5-3-10-27-18)21-20(24)15-12-23(2)22-19(15)14-6-7-16-17(11-14)26-9-4-8-25-16/h3,5-7,10-13H,4,8-9H2,1-2H3,(H,21,24)