5-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-(2-anilino-2-oxo-ethyl)-N-(1,3-benzodioxol-5-ylmethyl)triazole-4-carboxamide CAS Name: 5-amino-1-(2-anilino-2-oxoethyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-(2-anilino-2-oxoethyl)-N-(1,3-benzodioxol-5-ylmethyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(2-anilino-2-keto-ethyl)-N-piperonyl-triazole-4-carboxamide Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(N=N3)CC(=O)NC4=CC=CC=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(N=N3)CC(=O)NC4=CC=CC=C4)N

InChI

InChI=1S/C19H18N6O4/c20-18-17(19(27)21-9-12-6-7-14-15(8-12)29-11-28-14)23-24-25(18)10-16(26)22-13-4-2-1-3-5-13/h1-8H,9-11,20H2,(H,21,27)(H,22,26)