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

Systemtic Name: 6-[(3S,4R)-3-(5-chloranylpyridin-2-yl)-4-[(3S,5R)-3,5-dimethyl-4-oxidanyl-4-phenyl-piperidin-1-yl]carbonyl-pyrrolidin-1-yl]pyridazine-3-carbonitrile Openeye Name: 6-[(3S,4R)-3-(5-chloro-2-pyridyl)-4-[(3S,5R)-4-hydroxy-3,5-dimethyl-4-phenyl-piperidine-1-carbonyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile CAS Name: 6-[(3S,4R)-3-(5-chloro-2-pyridinyl)-4-[[(3S,5R)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl]-oxomethyl]-1-pyrrolidinyl]-3-pyridazinecarbonitrile IUPAC Name: 6-[(3S,4R)-3-(5-chloropyridin-2-yl)-4-[(3S,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidine-1-carbonyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile Traditional Name: 6-[(3S,4R)-3-(5-chloro-2-pyridyl)-4-[(3S,5R)-4-hydroxy-3,5-dimethyl-4-phenyl-piperidine-1-carbonyl]pyrrolidino]pyridazine-3-carbonitrile Formula: C28H29ClN6O2 MolecularWeight: 517.02186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(C1(C2=CC=CC=C2)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=CC=C2)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/C28H29ClN6O2/c1-18-14-35(15-19(2)28(18,37)20-6-4-3-5-7-20)27(36)24-17-34(26-11-9-22(12-30)32-33-26)16-23(24)25-10-8-21(29)13-31-25/h3-11,13,18-19,23-24,37H,14-17H2,1-2H3/t18-,19+,23-,24+,28?/m1/s1