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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NC2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)NC2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

InChI

InChI=1S/C19H18N4O3/c1-13-18(22-23(21-13)15-6-3-2-4-7-15)19(24)20-14-8-9-16-17(12-14)26-11-5-10-25-16/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,24)