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

Systemtic Name: N-[3-cyano-4-[(phenylmethyl)amino]quinolin-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(benzylamino)-3-cyano-2-quinolyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-cyano-4-[(phenylmethyl)amino]-2-quinolinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(benzylamino)-3-cyano-2-quinolyl]-piperonylamide Formula: C25H18N4O3 MolecularWeight: 422.43542

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4C(=C3C#N)NCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4C(=C3C#N)NCC5=CC=CC=C5

InChI

InChI=1S/C25H18N4O3/c26-13-19-23(27-14-16-6-2-1-3-7-16)18-8-4-5-9-20(18)28-24(19)29-25(30)17-10-11-21-22(12-17)32-15-31-21/h1-12H,14-15H2,(H2,27,28,29,30)