2-[2-(benzotriazol-1-yl)ethanoyl-quinolin-3-yl-amino]-2-[3,4-bis(oxidanyl)phenyl]-N-cyclopentyl-ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-quinolin-3-yl-amino]-2-[3,4-bis(oxidanyl)phenyl]-N-cyclopentyl-ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-N-cyclopentyl-2-(3,4-dihydroxyphenyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-quinolinyl)amino]-N-cyclopentyl-2-(3,4-dihydroxyphenyl)acetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-quinolin-3-ylamino]-N-cyclopentyl-2-(3,4-dihydroxyphenyl)acetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-N-cyclopentyl-2-(3,4-dihydroxyphenyl)acetamide Formula: C30H28N6O4 MolecularWeight: 536.58112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(C2=CC(=C(C=C2)O)O)N(C3=CC4=CC=CC=C4N=C3)C(=O)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC(C1)NC(=O)C(C2=CC(=C(C=C2)O)O)N(C3=CC4=CC=CC=C4N=C3)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C30H28N6O4/c37-26-14-13-20(16-27(26)38)29(30(40)32-21-8-2-3-9-21)36(22-15-19-7-1-4-10-23(19)31-17-22)28(39)18-35-25-12-6-5-11-24(25)33-34-35/h1,4-7,10-17,21,29,37-38H,2-3,8-9,18H2,(H,32,40)