1-(4-butylphenyl)-3-chloranyl-4-[4-(phenylmethyl)piperazin-1-yl]pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-chloranyl-4-[4-(phenylmethyl)piperazin-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(4-butylphenyl)-4-chloro-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-chloro-4-[4-(phenylmethyl)-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(4-butylphenyl)-4-chloropyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazino)-1-(4-butylphenyl)-4-chloro-3-pyrroline-2,5-quinone Formula: C25H28ClN3O2 MolecularWeight: 437.96172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28ClN3O2/c1-2-3-7-19-10-12-21(13-11-19)29-24(30)22(26)23(25(29)31)28-16-14-27(15-17-28)18-20-8-5-4-6-9-20/h4-6,8-13H,2-3,7,14-18H2,1H3