1-azanyl-N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-phenyl-isoquinoline-7-carboxamide

Systemtic Name: 1-azanyl-N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-phenyl-isoquinoline-7-carboxamide Openeye Name: 1-amino-N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N-phenyl-isoquinoline-7-carboxamide CAS Name: 1-amino-N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-phenyl-7-isoquinolinecarboxamide IUPAC Name: 1-amino-N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-phenylisoquinoline-7-carboxamide Traditional Name: 1-amino-N-[2-keto-2-(piperonylamino)ethyl]-N-phenyl-isoquinoline-7-carboxamide Formula: C26H22N4O4 MolecularWeight: 454.47728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN(C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN(C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C26H22N4O4/c27-25-21-13-19(8-7-18(21)10-11-28-25)26(32)30(20-4-2-1-3-5-20)15-24(31)29-14-17-6-9-22-23(12-17)34-16-33-22/h1-13H,14-16H2,(H2,27,28)(H,29,31)