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

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-quinolin-3-yl-amino]-2-[3,4-bis(oxidanyl)phenyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-N-cyclohexyl-2-(3,4-dihydroxyphenyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-quinolinyl)amino]-N-cyclohexyl-2-(3,4-dihydroxyphenyl)acetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-quinolin-3-ylamino]-N-cyclohexyl-2-(3,4-dihydroxyphenyl)acetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-N-cyclohexyl-2-(3,4-dihydroxyphenyl)acetamide Formula: C31H30N6O4 MolecularWeight: 550.6077

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)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(CC1)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/C31H30N6O4/c38-27-15-14-21(17-28(27)39)30(31(41)33-22-9-2-1-3-10-22)37(23-16-20-8-4-5-11-24(20)32-18-23)29(40)19-36-26-13-7-6-12-25(26)34-35-36/h4-8,11-18,22,30,38-39H,1-3,9-10,19H2,(H,33,41)