2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-4-phenyl-6-[(phenylmethyl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-4-phenyl-6-[(phenylmethyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-(benzylamino)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-phenyl-6-[(phenylmethyl)amino]-3-isoquinolinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-(benzylamino)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-(benzylamino)-1-keto-4-phenyl-2-piperonyl-isoquinoline-3-carboxylic acid Formula: C31H24N2O5 MolecularWeight: 504.53266

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)NCC5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)NCC5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C31H24N2O5/c34-30-24-13-12-23(32-17-20-7-3-1-4-8-20)16-25(24)28(22-9-5-2-6-10-22)29(31(35)36)33(30)18-21-11-14-26-27(15-21)38-19-37-26/h1-16,32H,17-19H2,(H,35,36)