2-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-methyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1,3-diketo-2-methyl-isoindoline-5-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C

InChI

InChI=1S/C21H21N3O4/c1-12(2)10-18(25)22-14-5-7-15(8-6-14)23-19(26)13-4-9-16-17(11-13)21(28)24(3)20(16)27/h4-9,11-12H,10H2,1-3H3,(H,22,25)(H,23,26)