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

Systemtic Name: methyl 2-[3-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[3-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[3-[4-(1,3-benzodioxol-4-ylmethyl)-1-piperazinyl]-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[3-[4-(1,3-benzodioxol-4-ylmethyl)piperazino]-6-keto-pyridazin-1-yl]acetic acid methyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C=CC(=N1)N2CCN(CC2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

COC(=O)CN1C(=O)C=CC(=N1)N2CCN(CC2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C19H22N4O5/c1-26-18(25)12-23-17(24)6-5-16(20-23)22-9-7-21(8-10-22)11-14-3-2-4-15-19(14)28-13-27-15/h2-6H,7-13H2,1H3