6-[(3S,4R)-3-(5-chloranylpyridin-2-yl)-4-[(3S,5R)-4-cyclohexyl-3,5-dimethyl-4-oxidanyl-piperidin-1-yl]carbonyl-pyrrolidin-1-yl]-2-methyl-pyridazin-3-one

Systemtic Name: 6-[(3S,4R)-3-(5-chloranylpyridin-2-yl)-4-[(3S,5R)-4-cyclohexyl-3,5-dimethyl-4-oxidanyl-piperidin-1-yl]carbonyl-pyrrolidin-1-yl]-2-methyl-pyridazin-3-one Openeye Name: 6-[(3S,4R)-3-(5-chloro-2-pyridyl)-4-[(3S,5R)-4-cyclohexyl-4-hydroxy-3,5-dimethyl-piperidine-1-carbonyl]pyrrolidin-1-yl]-2-methyl-pyridazin-3-one CAS Name: 6-[(3S,4R)-3-(5-chloro-2-pyridinyl)-4-[[(3S,5R)-4-cyclohexyl-4-hydroxy-3,5-dimethyl-1-piperidinyl]-oxomethyl]-1-pyrrolidinyl]-2-methyl-3-pyridazinone IUPAC Name: 6-[(3S,4R)-3-(5-chloropyridin-2-yl)-4-[(3S,5R)-4-cyclohexyl-4-hydroxy-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one Traditional Name: 6-[(3S,4R)-3-(5-chloro-2-pyridyl)-4-[(3S,5R)-4-cyclohexyl-4-hydroxy-3,5-dimethyl-piperidine-1-carbonyl]pyrrolidino]-2-methyl-pyridazin-3-one Formula: C28H38ClN5O3 MolecularWeight: 528.08602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(C1(C2CCCCC2)O)C)C(=O)C3CN(CC3C4=NC=C(C=C4)Cl)C5=NN(C(=O)C=C5)C

Isomeric SMILES

C[C@@H]1CN(C[C@@H](C1(C2CCCCC2)O)C)C(=O)[C@H]3CN(C[C@H]3C4=NC=C(C=C4)Cl)C5=NN(C(=O)C=C5)C

InChI

InChI=1S/C28H38ClN5O3/c1-18-14-34(15-19(2)28(18,37)20-7-5-4-6-8-20)27(36)23-17-33(25-11-12-26(35)32(3)31-25)16-22(23)24-10-9-21(29)13-30-24/h9-13,18-20,22-23,37H,4-8,14-17H2,1-3H3/t18-,19+,22-,23+,28?/m1/s1