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

Systemtic Name: N-(3-cyanophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-(3-cyanophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-(3-cyanophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-(3-cyanophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide Traditional Name: N-(3-cyanophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H18N4O3/c1-25-13-17(21(26)23-16-5-2-4-14(10-16)12-22)20(24-25)15-6-7-18-19(11-15)28-9-3-8-27-18/h2,4-7,10-11,13H,3,8-9H2,1H3,(H,23,26)