N-(heptan-4-ylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

Systemtic Name: N-(heptan-4-ylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide Openeye Name: 1,5-diphenyl-N-(1-propylbutylideneamino)-1,2,4-triazole-3-carboxamide CAS Name: N-(heptan-4-ylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide IUPAC Name: N-(heptan-4-ylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide Traditional Name: 1,5-diphenyl-N-(1-propylbutylideneamino)-1,2,4-triazole-3-carboxamide Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)CCC

Isomeric SMILES

CCCC(=NNC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)CCC

InChI

InChI=1S/C22H25N5O/c1-3-11-18(12-4-2)24-25-22(28)20-23-21(17-13-7-5-8-14-17)27(26-20)19-15-9-6-10-16-19/h5-10,13-16H,3-4,11-12H2,1-2H3,(H,25,28)