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

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-14(16-9-10-18-19(13-16)28-12-6-11-27-18)22-21(26)20-15(2)23-25(24-20)17-7-4-3-5-8-17/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,26)