N-[[2H-benzotriazol-5-yl(methanoyl)amino]carbamoyl-(propanoylamino)amino]-N-phenyl-methanamide

Systemtic Name: N-[[2H-benzotriazol-5-yl(methanoyl)amino]carbamoyl-(propanoylamino)amino]-N-phenyl-methanamide Openeye Name: N-[[2H-benzotriazol-5-yl(formyl)amino]carbamoyl-(propanoylamino)amino]-N-phenyl-formamide CAS Name: N-[[[2-(2H-benzotriazol-5-yl)-2-formylhydrazinyl]-oxomethyl]-(1-oxopropylamino)amino]-N-phenylformamide IUPAC Name: N-[[2H-benzotriazol-5-yl(formyl)amino]carbamoyl-(propanoylamino)amino]-N-phenylformamide Traditional Name: N-[[2H-benzotriazol-5-yl(formyl)amino]carbamoyl-propionamido-amino]-N-phenyl-formamide Formula: C18H18N8O4 MolecularWeight: 410.38672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NN(C(=O)NN(C=O)C1=CC2=NNN=C2C=C1)N(C=O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NN(C(=O)NN(C=O)C1=CC2=NNN=C2C=C1)N(C=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N8O4/c1-2-17(29)21-26(25(12-28)13-6-4-3-5-7-13)18(30)22-24(11-27)14-8-9-15-16(10-14)20-23-19-15/h3-12H,2H2,1H3,(H,21,29)(H,22,30)(H,19,20,23)