2-[2-(benzotriazol-1-yl)ethanoyl-quinolin-3-yl-amino]-N-(phenylmethyl)-2-pyridin-2-yl-ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-quinolin-3-yl-amino]-N-(phenylmethyl)-2-pyridin-2-yl-ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-N-benzyl-2-(2-pyridyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-quinolinyl)amino]-N-(phenylmethyl)-2-(2-pyridinyl)acetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-quinolin-3-ylamino]-N-benzyl-2-pyridin-2-ylacetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-N-benzyl-2-(2-pyridyl)acetamide Formula: C31H25N7O2 MolecularWeight: 527.5759

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=N2)N(C3=CC4=CC=CC=C4N=C3)C(=O)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=N2)N(C3=CC4=CC=CC=C4N=C3)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C31H25N7O2/c39-29(21-37-28-16-7-6-14-26(28)35-36-37)38(24-18-23-12-4-5-13-25(23)33-20-24)30(27-15-8-9-17-32-27)31(40)34-19-22-10-2-1-3-11-22/h1-18,20,30H,19,21H2,(H,34,40)