6-[(3S,4R)-3-(5-chloranylpyridin-2-yl)-4-[(3S,5R)-4-(4-fluorophenyl)-3,5-dimethyl-4-oxidanyl-piperidin-1-yl]carbonyl-pyrrolidin-1-yl]pyridazine-3-carbonitrile

Systemtic Name: 6-[(3S,4R)-3-(5-chloranylpyridin-2-yl)-4-[(3S,5R)-4-(4-fluorophenyl)-3,5-dimethyl-4-oxidanyl-piperidin-1-yl]carbonyl-pyrrolidin-1-yl]pyridazine-3-carbonitrile Openeye Name: 6-[(3S,4R)-3-(5-chloro-2-pyridyl)-4-[(3S,5R)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethyl-piperidine-1-carbonyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile CAS Name: 6-[(3S,4R)-3-(5-chloro-2-pyridinyl)-4-[[(3S,5R)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethyl-1-piperidinyl]-oxomethyl]-1-pyrrolidinyl]-3-pyridazinecarbonitrile IUPAC Name: 6-[(3S,4R)-3-(5-chloropyridin-2-yl)-4-[(3S,5R)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile Traditional Name: 6-[(3S,4R)-3-(5-chloro-2-pyridyl)-4-[(3S,5R)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethyl-piperidine-1-carbonyl]pyrrolidino]pyridazine-3-carbonitrile Formula: C28H28ClFN6O2 MolecularWeight: 535.012323

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(C1(C2=CC=C(C=C2)F)O)C)C(=O)C3CN(CC3C4=NC=C(C=C4)Cl)C5=NN=C(C=C5)C#N

Isomeric SMILES

C[C@@H]1CN(C[C@@H](C1(C2=CC=C(C=C2)F)O)C)C(=O)[C@H]3CN(C[C@H]3C4=NC=C(C=C4)Cl)C5=NN=C(C=C5)C#N

InChI

InChI=1S/C28H28ClFN6O2/c1-17-13-36(14-18(2)28(17,38)19-3-6-21(30)7-4-19)27(37)24-16-35(26-10-8-22(11-31)33-34-26)15-23(24)25-9-5-20(29)12-32-25/h3-10,12,17-18,23-24,38H,13-16H2,1-2H3/t17-,18+,23-,24+,28?/m1/s1