2-[4-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-pentan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[4-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-pentan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[3-methyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]butyl]isoindolin-1-one CAS Name: 2-[4-methyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxopentan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[4-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxopentan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[3-methyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]butyl]isoindolin-1-one Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H28N4O4/c1-17(2)15-22(27-16-18-5-3-4-6-21(18)23(27)29)24(30)26-13-11-25(12-14-26)19-7-9-20(10-8-19)28(31)32/h3-10,17,22H,11-16H2,1-2H3