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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-prop-2-ynyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-prop-2-ynyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-prop-2-ynyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-propargyl-pyrazole-4-carboxamide Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC#C

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC#C

InChI

InChI=1S/C17H17N3O3/c1-3-7-18-17(21)13-11-20(2)19-16(13)12-5-6-14-15(10-12)23-9-4-8-22-14/h1,5-6,10-11H,4,7-9H2,2H3,(H,18,21)