N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(1,3,5-trimethyl-4-pyrazolyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H19N3O3/c1-10-15(11(2)19(3)18-10)17-16(20)12-5-6-13-14(9-12)22-8-4-7-21-13/h5-6,9H,4,7-8H2,1-3H3,(H,17,20)