methyl 2-[5-bromanyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[5-bromanyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[5-bromo-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[5-bromo-4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-bromo-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[5-bromo-4-[4-(2,3-dimethylphenyl)piperazino]-6-keto-pyridazin-1-yl]acetic acid methyl ester Formula: C19H23BrN4O3 MolecularWeight: 435.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=O)N(N=C3)CC(=O)OC)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=O)N(N=C3)CC(=O)OC)Br)C

InChI

InChI=1S/C19H23BrN4O3/c1-13-5-4-6-15(14(13)2)22-7-9-23(10-8-22)16-11-21-24(12-17(25)27-3)19(26)18(16)20/h4-6,11H,7-10,12H2,1-3H3