N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 3-(1H-indol-3-yl)-1-keto-2-(2-methoxyethyl)-N-piperonyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CNC6=CC=CC=C65

Isomeric SMILES

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C29H27N3O5/c1-35-13-12-32-27(22-16-30-23-9-5-4-6-19(22)23)26(20-7-2-3-8-21(20)29(32)34)28(33)31-15-18-10-11-24-25(14-18)37-17-36-24/h2-11,14,16,26-27,30H,12-13,15,17H2,1H3,(H,31,33)