2-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-[(2,4-dichlorophenyl)methyl]-1-piperazinyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(2,4-dichlorobenzyl)piperazino]-3-keto-propyl]isoindoline-1,3-quinone Formula: C22H21Cl2N3O3 MolecularWeight: 446.32644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)Cl)Cl)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)Cl)Cl)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21Cl2N3O3/c23-16-6-5-15(19(24)13-16)14-25-9-11-26(12-10-25)20(28)7-8-27-21(29)17-3-1-2-4-18(17)22(27)30/h1-6,13H,7-12,14H2