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

Systemtic Name: N-[3-cyano-6-formamido-4-[(phenylmethyl)amino]quinolin-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(benzylamino)-3-cyano-6-formamido-2-quinolyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-cyano-6-formamido-4-[(phenylmethyl)amino]-2-quinolinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(benzylamino)-3-cyano-6-formamidoquinolin-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(benzylamino)-3-cyano-6-formamido-2-quinolyl]-piperonylamide Formula: C26H19N5O4 MolecularWeight: 465.46016

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC4=C(C=C(C=C4)NC=O)C(=C3C#N)NCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC4=C(C=C(C=C4)NC=O)C(=C3C#N)NCC5=CC=CC=C5

InChI

InChI=1S/C26H19N5O4/c27-12-20-24(28-13-16-4-2-1-3-5-16)19-11-18(29-14-32)7-8-21(19)30-25(20)31-26(33)17-6-9-22-23(10-17)35-15-34-22/h1-11,14H,13,15H2,(H,29,32)(H2,28,30,31,33)