6-[(3S,4R)-3-(5-chloranylpyridin-2-yl)-4-[(3S,5R)-3,5-dimethyl-4-oxidanyl-4-pyridin-2-yl-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-pyridin-2-yl-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-(2-pyridyl)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-(2-pyridinyl)-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-pyridin-2-ylpiperidine-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-(2-pyridyl)piperidine-1-carbonyl]pyrrolidino]pyridazine-3-carbonitrile Formula: C27H28ClN7O2 MolecularWeight: 518.00992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(C1(C2=CC=CC=N2)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=N2)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/C27H28ClN7O2/c1-17-13-35(14-18(2)27(17,37)24-5-3-4-10-30-24)26(36)22-16-34(25-9-7-20(11-29)32-33-25)15-21(22)23-8-6-19(28)12-31-23/h3-10,12,17-18,21-22,37H,13-16H2,1-2H3/t17-,18+,21-,22+,27?/m1/s1