ethyl 1-(3-bromophenyl)-6-oxidanylidene-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)-6-oxidanylidene-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]pyridazine-3-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-6-oxo-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]pyridazine-3-carboxylate CAS Name: 1-(3-bromophenyl)-6-oxo-4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-6-oxo-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]pyridazine-3-carboxylate Traditional Name: 1-(3-bromophenyl)-6-keto-4-[2-keto-2-(4-phenylpiperazino)ethoxy]pyridazine-3-carboxylic acid ethyl ester Formula: C25H25BrN4O5 MolecularWeight: 541.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H25BrN4O5/c1-2-34-25(33)24-21(16-22(31)30(27-24)20-10-6-7-18(26)15-20)35-17-23(32)29-13-11-28(12-14-29)19-8-4-3-5-9-19/h3-10,15-16H,2,11-14,17H2,1H3