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

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-methoxyphenyl)butanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-methoxyphenyl)butanamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-N-(4-methoxyphenyl)butanamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-(4-methoxyphenyl)butanamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-methoxyphenyl)butyramide Formula: C25H26N6O3 MolecularWeight: 458.51234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N6O3/c1-3-22(25(33)27-19-10-12-20(34-2)13-11-19)30(16-18-7-6-14-26-15-18)24(32)17-31-23-9-5-4-8-21(23)28-29-31/h4-15,22H,3,16-17H2,1-2H3,(H,27,33)