N-(6-azanylhexyl)-N'-[[3-(benzotriazol-2-yl)-5-methyl-2-oxidanyl-phenyl]methyl]ethanediamide

Systemtic Name: N-(6-azanylhexyl)-N'-[[3-(benzotriazol-2-yl)-5-methyl-2-oxidanyl-phenyl]methyl]ethanediamide Openeye Name: N-(6-aminohexyl)-N'-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methyl-phenyl]methyl]oxamide CAS Name: N-(6-aminohexyl)-N'-[[3-(2-benzotriazolyl)-2-hydroxy-5-methylphenyl]methyl]oxamide IUPAC Name: N-(6-aminohexyl)-N'-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]oxamide Traditional Name: N-(6-aminohexyl)-N'-[3-(benzotriazol-2-yl)-2-hydroxy-5-methyl-benzyl]oxamide Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CNC(=O)C(=O)NCCCCCCN

Isomeric SMILES

CC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CNC(=O)C(=O)NCCCCCCN

InChI

InChI=1S/C22H28N6O3/c1-15-12-16(14-25-22(31)21(30)24-11-7-3-2-6-10-23)20(29)19(13-15)28-26-17-8-4-5-9-18(17)27-28/h4-5,8-9,12-13,29H,2-3,6-7,10-11,14,23H2,1H3,(H,24,30)(H,25,31)