N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-triazole-4-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-2-phenyl-triazole-4-carboxamide Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=NN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=NN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2/c24-17-10-5-2-6-12-22(17)13-7-11-19-18(25)16-14-20-23(21-16)15-8-3-1-4-9-15/h1,3-4,8-9,14H,2,5-7,10-13H2,(H,19,25)