3-[3-[(3S)-3-(3-methoxyphenyl)carbonylpiperidin-1-yl]-3-oxidanylidene-propyl]-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[3-[(3S)-3-(3-methoxyphenyl)carbonylpiperidin-1-yl]-3-oxidanylidene-propyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[3-[(3S)-3-(3-methoxybenzoyl)-1-piperidyl]-3-oxo-propyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[3-[(3S)-3-[(3-methoxyphenyl)-oxomethyl]-1-piperidinyl]-3-oxopropyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[3-[(3S)-3-(3-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[3-keto-3-[(3S)-3-m-anisoylpiperidino]propyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2CCCN(C2)C(=O)CCC3=NNC(=O)CC3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)[C@H]2CCCN(C2)C(=O)CCC3=NNC(=O)CC3

InChI

InChI=1S/C20H25N3O4/c1-27-17-6-2-4-14(12-17)20(26)15-5-3-11-23(13-15)19(25)10-8-16-7-9-18(24)22-21-16/h2,4,6,12,15H,3,5,7-11,13H2,1H3,(H,22,24)/t15-/m0/s1