3-methyl-6-pyridin-4-yl-2-[(5R)-5-(4-pyrrolidin-1-ylphenyl)-3-azabicyclo[2.2.2]octan-3-yl]pyrimidin-4-one

Systemtic Name: 3-methyl-6-pyridin-4-yl-2-[(5R)-5-(4-pyrrolidin-1-ylphenyl)-3-azabicyclo[2.2.2]octan-3-yl]pyrimidin-4-one Openeye Name: 3-methyl-6-(4-pyridyl)-2-[(5R)-5-(4-pyrrolidin-1-ylphenyl)-3-azabicyclo[2.2.2]octan-3-yl]pyrimidin-4-one CAS Name: 3-methyl-6-pyridin-4-yl-2-[(5R)-5-[4-(1-pyrrolidinyl)phenyl]-3-azabicyclo[2.2.2]octan-3-yl]-4-pyrimidinone IUPAC Name: 3-methyl-6-pyridin-4-yl-2-[(5R)-5-(4-pyrrolidin-1-ylphenyl)-3-azabicyclo[2.2.2]octan-3-yl]pyrimidin-4-one Traditional Name: 3-methyl-6-(4-pyridyl)-2-[(5R)-5-(4-pyrrolidinophenyl)-3-azabicyclo[2.2.2]octan-3-yl]pyrimidin-4-one Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N2CC3CCC2C(C3)C4=CC=C(C=C4)N5CCCC5)C6=CC=NC=C6

Isomeric SMILES

CN1C(=O)C=C(N=C1N2CC3CCC2[C@H](C3)C4=CC=C(C=C4)N5CCCC5)C6=CC=NC=C6

InChI

InChI=1S/C27H31N5O/c1-30-26(33)17-24(21-10-12-28-13-11-21)29-27(30)32-18-19-4-9-25(32)23(16-19)20-5-7-22(8-6-20)31-14-2-3-15-31/h5-8,10-13,17,19,23,25H,2-4,9,14-16,18H2,1H3/t19?,23-,25?/m1/s1