N-[(4-cyanophenyl)methyl]-4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-[(4-cyanophenyl)methyl]-4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-[(4-cyanophenyl)methyl]-4-(5-methyl-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-[(4-cyanophenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-(4-cyanobenzyl)-4-(1,3-diketo-5-methyl-isoindolin-2-yl)butyramide Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O3/c1-14-4-9-17-18(11-14)21(27)24(20(17)26)10-2-3-19(25)23-13-16-7-5-15(12-22)6-8-16/h4-9,11H,2-3,10,13H2,1H3,(H,23,25)