N-[3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)-2-methylpropyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)CNC(=O)C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=CC(=NN1CC(C)CNC(=O)C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C19H25N3O3/c1-13(12-22-15(3)9-14(2)21-22)11-20-19(23)16-5-6-17-18(10-16)25-8-4-7-24-17/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3,(H,20,23)