5-azanyl-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-N-phenethyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-N-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-N-phenethyl-triazole-4-carboxamide CAS Name: 5-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-phenethyl-4-triazolecarboxamide IUPAC Name: 5-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-phenethyltriazole-4-carboxamide Traditional Name: 5-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-N-phenethyl-triazole-4-carboxamide Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C(=C(N=N3)C(=O)NCCC4=CC=CC=C4)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C(=C(N=N3)C(=O)NCCC4=CC=CC=C4)N

InChI

InChI=1S/C21H22N6O4/c22-20-19(21(29)23-9-8-14-4-2-1-3-5-14)25-26-27(20)13-18(28)24-15-6-7-16-17(12-15)31-11-10-30-16/h1-7,12H,8-11,13,22H2,(H,23,29)(H,24,28)