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

Systemtic Name: ethyl 4-[3-chloranyl-2,5-bis(oxidanylidene)-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H22ClN3O4 MolecularWeight: 439.89148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O4/c1-2-31-23(30)16-8-10-18(11-9-16)27-21(28)19(24)20(22(27)29)26-14-12-25(13-15-26)17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3