N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(1H-indol-3-yl)-1-keto-2-(2-methoxyethyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C30H29N3O5 MolecularWeight: 511.56836

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3COC4=CC=CC=C4O3)C5=CNC6=CC=CC=C65

Isomeric SMILES

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3COC4=CC=CC=C4O3)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C30H29N3O5/c1-36-15-14-33-28(23-17-31-24-11-5-4-8-20(23)24)27(21-9-2-3-10-22(21)30(33)35)29(34)32-16-19-18-37-25-12-6-7-13-26(25)38-19/h2-13,17,19,27-28,31H,14-16,18H2,1H3,(H,32,34)