N'-[4-methyl-5-oxidanylidene-3-(pyridin-2-ylmethyl)-1,3,4-benzotriazepin-2-yl]piperidine-1-carboximidamide

Systemtic Name: N'-[4-methyl-5-oxidanylidene-3-(pyridin-2-ylmethyl)-1,3,4-benzotriazepin-2-yl]piperidine-1-carboximidamide Openeye Name: N'-[4-methyl-5-oxo-3-(2-pyridylmethyl)-1,3,4-benzotriazepin-2-yl]piperidine-1-carboxamidine CAS Name: N'-[4-methyl-5-oxo-3-(2-pyridinylmethyl)-1,3,4-benzotriazepin-2-yl]-1-piperidinecarboximidamide IUPAC Name: N'-[4-methyl-5-oxo-3-(pyridin-2-ylmethyl)-1,3,4-benzotriazepin-2-yl]piperidine-1-carboximidamide Traditional Name: N'-[5-keto-4-methyl-3-(2-pyridylmethyl)-1,3,4-benzotriazepin-2-yl]piperidine-1-carboxamidine Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C(N1CC3=CC=CC=N3)N=C(N)N4CCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C(N1CC3=CC=CC=N3)/N=C(\N)/N4CCCCC4

InChI

InChI=1S/C21H25N7O/c1-26-19(29)17-10-3-4-11-18(17)24-21(25-20(22)27-13-7-2-8-14-27)28(26)15-16-9-5-6-12-23-16/h3-6,9-12H,2,7-8,13-15H2,1H3,(H2,22,24,25)