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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC3=C(C=C2)OCCCO3)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC3=C(C=C2)OCCCO3)Cl)CC(C)C

InChI

InChI=1S/C18H22ClN3O3/c1-11(2)10-22-17(19)16(12(3)21-22)18(23)20-13-5-6-14-15(9-13)25-8-4-7-24-14/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,20,23)