4-(4-phenylpiperazin-1-yl)-5-propyl-isoindole-1,3-dione

Systemtic Name: 4-(4-phenylpiperazin-1-yl)-5-propyl-isoindole-1,3-dione Openeye Name: 4-(4-phenylpiperazin-1-yl)-5-propyl-isoindoline-1,3-dione CAS Name: 4-(4-phenyl-1-piperazinyl)-5-propylisoindole-1,3-dione IUPAC Name: 4-(4-phenylpiperazin-1-yl)-5-propylisoindole-1,3-dione Traditional Name: 4-(4-phenylpiperazino)-5-propyl-isoindoline-1,3-quinone Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-2-6-15-9-10-17-18(21(26)22-20(17)25)19(15)24-13-11-23(12-14-24)16-7-4-3-5-8-16/h3-5,7-10H,2,6,11-14H2,1H3,(H,22,25,26)