N-[3-cyano-6-(dimethylamino)-4-[(phenylmethyl)amino]quinolin-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-cyano-6-(dimethylamino)-4-[(phenylmethyl)amino]quinolin-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(benzylamino)-3-cyano-6-(dimethylamino)-2-quinolyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-cyano-6-(dimethylamino)-4-[(phenylmethyl)amino]-2-quinolinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(benzylamino)-3-cyano-6-(dimethylamino)quinolin-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(benzylamino)-3-cyano-6-(dimethylamino)-2-quinolyl]-piperonylamide Formula: C27H23N5O3 MolecularWeight: 465.50322

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)N=C(C(=C2NCC3=CC=CC=C3)C#N)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)N=C(C(=C2NCC3=CC=CC=C3)C#N)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H23N5O3/c1-32(2)19-9-10-22-20(13-19)25(29-15-17-6-4-3-5-7-17)21(14-28)26(30-22)31-27(33)18-8-11-23-24(12-18)35-16-34-23/h3-13H,15-16H2,1-2H3,(H2,29,30,31,33)