ethyl 1-(4-fluorophenyl)-4-[(4-methylpiperazin-1-yl)amino]-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(4-fluorophenyl)-4-[(4-methylpiperazin-1-yl)amino]-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-4-[(4-methylpiperazin-1-yl)amino]-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4-[(4-methyl-1-piperazinyl)amino]-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-4-[(4-methylpiperazin-1-yl)amino]-6-oxopyridazine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-6-keto-4-[(4-methylpiperazino)amino]pyridazine-3-carboxylic acid ethyl ester Formula: C18H22FN5O3 MolecularWeight: 375.397383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NN2CCN(CC2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NN2CCN(CC2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN5O3/c1-3-27-18(26)17-15(20-23-10-8-22(2)9-11-23)12-16(25)24(21-17)14-6-4-13(19)5-7-14/h4-7,12,20H,3,8-11H2,1-2H3