3-[(3S)-3-(4-phenoxyphenyl)carbonylpiperidin-1-yl]carbonyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[(3S)-3-(4-phenoxyphenyl)carbonylpiperidin-1-yl]carbonyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[oxo-[(3S)-3-[oxo-(4-phenoxyphenyl)methyl]-1-piperidinyl]methyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NNC(=O)CC2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=NNC(=O)CC2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O4/c27-21-13-12-20(24-25-21)23(29)26-14-4-5-17(15-26)22(28)16-8-10-19(11-9-16)30-18-6-2-1-3-7-18/h1-3,6-11,17H,4-5,12-15H2,(H,25,27)/t17-/m0/s1