2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-dimethylaminophenyl)-3-methyl-butanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-dimethylaminophenyl)-3-methyl-butanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-dimethylaminophenyl)-3-methyl-butanamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-N-(4-dimethylaminophenyl)-3-methylbutanamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-(4-dimethylaminophenyl)-3-methylbutanamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-dimethylaminophenyl)-3-methyl-butyramide Formula: C27H31N7O2 MolecularWeight: 485.58074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)N(C)C)N(CC2=CN=CC=C2)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=C(C=C1)N(C)C)N(CC2=CN=CC=C2)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C27H31N7O2/c1-19(2)26(27(36)29-21-11-13-22(14-12-21)32(3)4)33(17-20-8-7-15-28-16-20)25(35)18-34-24-10-6-5-9-23(24)30-31-34/h5-16,19,26H,17-18H2,1-4H3,(H,29,36)