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

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(phenylmethyl)amino]-N-(4-dimethylaminophenyl)-3-methyl-butanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]-N-(4-dimethylaminophenyl)-3-methyl-butanamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(phenylmethyl)amino]-N-(4-dimethylaminophenyl)-3-methylbutanamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(4-dimethylaminophenyl)-3-methylbutanamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]-N-(4-dimethylaminophenyl)-3-methyl-butyramide Formula: C28H32N6O2 MolecularWeight: 484.59268

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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=CC=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=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C28H32N6O2/c1-20(2)27(28(36)29-22-14-16-23(17-15-22)32(3)4)33(18-21-10-6-5-7-11-21)26(35)19-34-25-13-9-8-12-24(25)30-31-34/h5-17,20,27H,18-19H2,1-4H3,(H,29,36)