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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-pentan-2-yl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(1-methylbutyl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-pentan-2-yl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-pentan-2-ylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(1-methylbutyl)pyrazole-4-carboxamide Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CCCC(C)NC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C19H25N3O3/c1-4-6-13(2)20-19(23)15-12-22(3)21-18(15)14-7-8-16-17(11-14)25-10-5-9-24-16/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,20,23)