N-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(2-methylpropyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(2-methylpropyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-isobutyl-3-oxo-isoindolin-1-yl)amino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide Traditional Name: 4-[(2-isobutyl-3-keto-isoindolin-1-yl)amino]-N-piperonyl-benzamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)CN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H27N3O4/c1-17(2)15-30-25(21-5-3-4-6-22(21)27(30)32)29-20-10-8-19(9-11-20)26(31)28-14-18-7-12-23-24(13-18)34-16-33-23/h3-13,17,25,29H,14-16H2,1-2H3,(H,28,31)