4-(benzotriazol-1-ylmethyl)-N-[[2-(dimethylamino)pyridin-3-yl]methyl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[[2-(dimethylamino)pyridin-3-yl]methyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[[2-(dimethylamino)-3-pyridyl]methyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[[2-(dimethylamino)pyridin-3-yl]methyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[[2-(dimethylamino)-3-pyridyl]methyl]benzamide Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=N1)CNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CN(C)C1=C(C=CC=N1)CNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H22N6O/c1-27(2)21-18(6-5-13-23-21)14-24-22(29)17-11-9-16(10-12-17)15-28-20-8-4-3-7-19(20)25-26-28/h3-13H,14-15H2,1-2H3,(H,24,29)