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

Systemtic Name: 1-butyl-5-chloranyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-pyrazole-4-carboxamide Openeye Name: 1-butyl-5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-pyrazole-4-carboxamide CAS Name: 1-butyl-5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-4-pyrazolecarboxamide IUPAC Name: 1-butyl-5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylpyrazole-4-carboxamide Traditional Name: 1-butyl-5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-pyrazole-4-carboxamide Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NC2=CC3=C(C=C2)OCCCO3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NC2=CC3=C(C=C2)OCCCO3)Cl

InChI

InChI=1S/C18H22ClN3O3/c1-3-4-8-22-17(19)16(12(2)21-22)18(23)20-13-6-7-14-15(11-13)25-10-5-9-24-14/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,23)