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

Systemtic Name: N-[(5-chloranylthiophen-2-yl)methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[(5-chloro-2-thienyl)methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-[(5-chloro-2-thiophenyl)methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[(5-chlorothiophen-2-yl)methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide Traditional Name: N-[(5-chloro-2-thienyl)methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=CC=C(S4)Cl

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=CC=C(S4)Cl

InChI

InChI=1S/C19H18ClN3O3S/c1-23-11-14(19(24)21-10-13-4-6-17(20)27-13)18(22-23)12-3-5-15-16(9-12)26-8-2-7-25-15/h3-6,9,11H,2,7-8,10H2,1H3,(H,21,24)