N-(3-imidazol-1-ylpropyl)-4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-4-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarboxamide Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C21H26N6O2/c28-20(23-10-3-12-26-13-11-22-15-26)17-8-6-16(7-9-17)14-27-21(29)18-4-1-2-5-19(18)24-25-27/h1-2,4-5,11,13,15-17H,3,6-10,12,14H2,(H,23,28)