butyl 4-[3-chloranyl-2,5-bis(oxidanylidene)-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate

Systemtic Name: butyl 4-[3-chloranyl-2,5-bis(oxidanylidene)-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate Openeye Name: butyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate CAS Name: 4-[3-chloro-2,5-dioxo-4-(4-phenyl-1-piperazinyl)-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate Traditional Name: 4-[3-chloro-2,5-diketo-4-(4-phenylpiperazino)-3-pyrrolin-1-yl]benzoic acid butyl ester Formula: C25H26ClN3O4 MolecularWeight: 467.94464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN3O4/c1-2-3-17-33-25(32)18-9-11-20(12-10-18)29-23(30)21(26)22(24(29)31)28-15-13-27(14-16-28)19-7-5-4-6-8-19/h4-12H,2-3,13-17H2,1H3