4-[4-(phenylmethyl)piperazin-1-yl]-5-propyl-isoindole-1,3-dione

Systemtic Name: 4-[4-(phenylmethyl)piperazin-1-yl]-5-propyl-isoindole-1,3-dione Openeye Name: 4-(4-benzylpiperazin-1-yl)-5-propyl-isoindoline-1,3-dione CAS Name: 4-[4-(phenylmethyl)-1-piperazinyl]-5-propylisoindole-1,3-dione IUPAC Name: 4-(4-benzylpiperazin-1-yl)-5-propylisoindole-1,3-dione Traditional Name: 4-(4-benzylpiperazino)-5-propyl-isoindoline-1,3-quinone Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C1)C(=O)NC2=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C2=C(C=C1)C(=O)NC2=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c1-2-6-17-9-10-18-19(22(27)23-21(18)26)20(17)25-13-11-24(12-14-25)15-16-7-4-3-5-8-16/h3-5,7-10H,2,6,11-15H2,1H3,(H,23,26,27)