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

Systemtic Name: propyl 4-[3-chloranyl-2,5-bis(oxidanylidene)-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C24H24ClN3O4 MolecularWeight: 453.91806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN3O4/c1-2-16-32-24(31)17-8-10-19(11-9-17)28-22(29)20(25)21(23(28)30)27-14-12-26(13-15-27)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3