2-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-oxidanylidene-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-oxidanylidene-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-oxo-3-(3-pyridyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-oxo-3-(3-pyridinyl)-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-keto-N-p-anisyl-3-(3-pyridyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C30H25N3O5 MolecularWeight: 507.5366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2C(N(C(=O)C3=CC=CC=C23)C4=CC5=C(C=C4)OCO5)C6=CN=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2C(N(C(=O)C3=CC=CC=C23)C4=CC5=C(C=C4)OCO5)C6=CN=CC=C6

InChI

InChI=1S/C30H25N3O5/c1-36-22-11-8-19(9-12-22)16-32-29(34)27-23-6-2-3-7-24(23)30(35)33(28(27)20-5-4-14-31-17-20)21-10-13-25-26(15-21)38-18-37-25/h2-15,17,27-28H,16,18H2,1H3,(H,32,34)