methyl 2-[6-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[6-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[3-(4-benzylpiperazin-1-yl)-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[6-oxo-3-[4-(phenylmethyl)-1-piperazinyl]-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-benzylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[3-(4-benzylpiperazino)-6-keto-pyridazin-1-yl]acetic acid methyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C=CC(=N1)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C(=O)C=CC(=N1)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3/c1-25-18(24)14-22-17(23)8-7-16(19-22)21-11-9-20(10-12-21)13-15-5-3-2-4-6-15/h2-8H,9-14H2,1H3