(5S,7R)-3-[5-chloranyl-6-oxidanylidene-4-[(3R)-3-phenylpyrrolidin-1-yl]pyridazin-1-yl]adamantane-1-carboxylate

Systemtic Name: (5S,7R)-3-[5-chloranyl-6-oxidanylidene-4-[(3R)-3-phenylpyrrolidin-1-yl]pyridazin-1-yl]adamantane-1-carboxylate Openeye Name: (5S,7R)-3-[5-chloro-6-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]pyridazin-1-yl]adamantane-1-carboxylate CAS Name: (5S,7R)-3-[5-chloro-6-oxo-4-[(3R)-3-phenyl-1-pyrrolidinyl]-1-pyridazinyl]-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-[5-chloro-6-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]pyridazin-1-yl]adamantane-1-carboxylate Traditional Name: (5S,7R)-3-[5-chloro-6-keto-4-[(3R)-3-phenylpyrrolidino]pyridazin-1-yl]adamantane-1-carboxylate Formula: C25H27ClN3O3- MolecularWeight: 452.95318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=CC=CC=C2)C3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)(C5)C(=O)[O-])Cl

Isomeric SMILES

C1CN(C[C@H]1C2=CC=CC=C2)C3=C(C(=O)N(N=C3)C45C[C@@H]6C[C@H](C4)CC(C6)(C5)C(=O)[O-])Cl

InChI

InChI=1S/C25H28ClN3O3/c26-21-20(28-7-6-19(14-28)18-4-2-1-3-5-18)13-27-29(22(21)30)25-11-16-8-17(12-25)10-24(9-16,15-25)23(31)32/h1-5,13,16-17,19H,6-12,14-15H2,(H,31,32)/p-1/t16-,17+,19-,24?,25?/m0/s1