N-[2-(2-methylpropanoylamino)ethyl]-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide

Systemtic Name: N-[2-(2-methylpropanoylamino)ethyl]-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide Openeye Name: 2-benzyl-N-[2-(2-methylpropanoylamino)ethyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxamide IUPAC Name: 2-benzyl-N-[2-(2-methylpropanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-benzyl-N-[2-(isobutyrylamino)ethyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-14(2)19(26)23-10-11-24-20(27)16-8-9-17-18(12-16)22(29)25(21(17)28)13-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,26)(H,24,27)