5-(dimethylamino)-2-[2-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-2-oxidanylidene-ethyl]pyridazin-3-one

Systemtic Name: 5-(dimethylamino)-2-[2-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-2-oxidanylidene-ethyl]pyridazin-3-one Openeye Name: 5-(dimethylamino)-2-[2-[3-[(2-methylphenoxy)methyl]-1-piperidyl]-2-oxo-ethyl]pyridazin-3-one CAS Name: 5-(dimethylamino)-2-[2-[3-[(2-methylphenoxy)methyl]-1-piperidinyl]-2-oxoethyl]-3-pyridazinone IUPAC Name: 5-(dimethylamino)-2-[2-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one Traditional Name: 5-(dimethylamino)-2-[2-keto-2-[3-[(2-methylphenoxy)methyl]piperidino]ethyl]pyridazin-3-one Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2CCCN(C2)C(=O)CN3C(=O)C=C(C=N3)N(C)C

Isomeric SMILES

CC1=CC=CC=C1OCC2CCCN(C2)C(=O)CN3C(=O)C=C(C=N3)N(C)C

InChI

InChI=1S/C21H28N4O3/c1-16-7-4-5-9-19(16)28-15-17-8-6-10-24(13-17)21(27)14-25-20(26)11-18(12-22-25)23(2)3/h4-5,7,9,11-12,17H,6,8,10,13-15H2,1-3H3