N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(1H-indol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(1H-indol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(1H-indol-3-yl)-3-oxo-isoindolin-2-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide Traditional Name: 2-[1-(1H-indol-3-yl)-3-keto-isoindolin-2-yl]-N-piperonyl-propionamide Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3C(C4=CC=CC=C4C3=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3C(C4=CC=CC=C4C3=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C27H23N3O4/c1-16(26(31)29-13-17-10-11-23-24(12-17)34-15-33-23)30-25(19-7-2-3-8-20(19)27(30)32)21-14-28-22-9-5-4-6-18(21)22/h2-12,14,16,25,28H,13,15H2,1H3,(H,29,31)