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

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(phenylmethyl)amino]-N-(4-methoxyphenyl)-3-methyl-butanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]-N-(4-methoxyphenyl)-3-methyl-butanamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(phenylmethyl)amino]-N-(4-methoxyphenyl)-3-methylbutanamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(4-methoxyphenyl)-3-methylbutanamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]-N-(4-methoxyphenyl)-3-methyl-butyramide Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O3/c1-19(2)26(27(34)28-21-13-15-22(35-3)16-14-21)31(17-20-9-5-4-6-10-20)25(33)18-32-24-12-8-7-11-23(24)29-30-32/h4-16,19,26H,17-18H2,1-3H3,(H,28,34)