N-(1,3-benzodioxol-5-ylcarbonyl)-N-[3-cyano-4-[(phenylmethyl)amino]quinolin-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbonyl)-N-[3-cyano-4-[(phenylmethyl)amino]quinolin-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(1,3-benzodioxole-5-carbonyl)-N-[4-(benzylamino)-3-cyano-2-quinolyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1,3-benzodioxol-5-yl(oxo)methyl]-N-[3-cyano-4-[(phenylmethyl)amino]-2-quinolinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(1,3-benzodioxole-5-carbonyl)-N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(benzylamino)-3-cyano-2-quinolyl]-N-piperonyloyl-piperonylamide Formula: C33H22N4O6 MolecularWeight: 570.55098

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)N(C3=NC4=CC=CC=C4C(=C3C#N)NCC5=CC=CC=C5)C(=O)C6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N(C3=NC4=CC=CC=C4C(=C3C#N)NCC5=CC=CC=C5)C(=O)C6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C33H22N4O6/c34-16-24-30(35-17-20-6-2-1-3-7-20)23-8-4-5-9-25(23)36-31(24)37(32(38)21-10-12-26-28(14-21)42-18-40-26)33(39)22-11-13-27-29(15-22)43-19-41-27/h1-15H,17-19H2,(H,35,36)