1-(4-butylphenyl)-3-chloranyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-chloranyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-chloro-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-chloro-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-chloro-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-chloro-4-(4-phenylpiperazino)-3-pyrroline-2,5-quinone Formula: C24H26ClN3O2 MolecularWeight: 423.93514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O2/c1-2-3-7-18-10-12-20(13-11-18)28-23(29)21(25)22(24(28)30)27-16-14-26(15-17-27)19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-17H2,1H3