2,3-diethoxy-8-oxidanylidene-N-(pyridin-3-ylmethyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide

Systemtic Name: 2,3-diethoxy-8-oxidanylidene-N-(pyridin-3-ylmethyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Openeye Name: 2,3-diethoxy-8-oxo-N-(3-pyridylmethyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide CAS Name: 2,3-diethoxy-8-oxo-N-(3-pyridinylmethyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide IUPAC Name: 2,3-diethoxy-8-oxo-N-(pyridin-3-ylmethyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Traditional Name: 2,3-diethoxy-8-keto-N-(3-pyridylmethyl)-5,6,13,13a-tetrahydroisoquinolin[2,1-b]isoquinoline-13-carboxamide Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C3C(C4=CC=CC=C4C(=O)N3CCC2=C1)C(=O)NCC5=CN=CC=C5)OCC

Isomeric SMILES

CCOC1=C(C=C2C3C(C4=CC=CC=C4C(=O)N3CCC2=C1)C(=O)NCC5=CN=CC=C5)OCC

InChI

InChI=1S/C28H29N3O4/c1-3-34-23-14-19-11-13-31-26(22(19)15-24(23)35-4-2)25(20-9-5-6-10-21(20)28(31)33)27(32)30-17-18-8-7-12-29-16-18/h5-10,12,14-16,25-26H,3-4,11,13,17H2,1-2H3,(H,30,32)