5-(2,2-dimethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-2-(pyridin-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-(2,2-dimethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 5-(2,2-dimethyl-3-oxo-piperazine-1-carbonyl)-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 5-[(2,2-dimethyl-3-oxo-1-piperazinyl)-oxomethyl]-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 5-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 5-(3-keto-2,2-dimethyl-piperazine-1-carbonyl)-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4)C

Isomeric SMILES

CC1(C(=O)NCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4)C

InChI

InChI=1S/C21H20N4O4/c1-21(2)20(29)23-8-9-25(21)17(26)14-5-6-15-16(10-14)19(28)24(18(15)27)12-13-4-3-7-22-11-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,29)