5-azanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide CAS Name: 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 5-amino-N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide Traditional Name: 5-amino-N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(=C(N=N3)C(=O)NCC4=CC=CC=C4)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C(=C(N=N3)C(=O)NCC4=CC=CC=C4)N

InChI

InChI=1S/C18H17N5O3/c19-17-16(18(24)20-11-12-4-2-1-3-5-12)21-22-23(17)13-6-7-14-15(10-13)26-9-8-25-14/h1-7,10H,8-9,11,19H2,(H,20,24)