2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)ethanoyl]amino]-N-(2-methylbutan-2-yl)-2-quinolin-6-yl-ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)ethanoyl]amino]-N-(2-methylbutan-2-yl)-2-quinolin-6-yl-ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-(1,1-dimethylpropyl)-2-(6-quinolyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-yl-[2-(1-benzotriazolyl)-1-oxoethyl]amino]-N-(2-methylbutan-2-yl)-2-(6-quinolinyl)acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-methylbutan-2-yl)-2-quinolin-6-ylacetamide Traditional Name: N-tert-amyl-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-2-(6-quinolyl)acetamide Formula: C31H30N6O4 MolecularWeight: 550.6077

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C(C1=CC2=C(C=C1)N=CC=C2)N(C3=CC4=C(C=C3)OCO4)C(=O)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

CCC(C)(C)NC(=O)C(C1=CC2=C(C=C1)N=CC=C2)N(C3=CC4=C(C=C3)OCO4)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C31H30N6O4/c1-4-31(2,3)33-30(39)29(21-11-13-23-20(16-21)8-7-15-32-23)37(22-12-14-26-27(17-22)41-19-40-26)28(38)18-36-25-10-6-5-9-24(25)34-35-36/h5-17,29H,4,18-19H2,1-3H3,(H,33,39)