1-[(3R)-4-(4-chloranyl-2-methyl-phenyl)-3-(4-pyridin-4-ylcarbonylphenyl)piperazin-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[(3R)-4-(4-chloranyl-2-methyl-phenyl)-3-(4-pyridin-4-ylcarbonylphenyl)piperazin-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[(3R)-4-(4-chloro-2-methyl-phenyl)-3-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[(3R)-4-(4-chloro-2-methylphenyl)-3-[4-[oxo(pyridin-4-yl)methyl]phenyl]-1-piperazinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[(3R)-4-(4-chloro-2-methylphenyl)-3-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[(3R)-4-(4-chloro-2-methyl-phenyl)-3-(4-isonicotinoylphenyl)piperazino]-2,2-dimethyl-propan-1-one Formula: C28H30ClN3O2 MolecularWeight: 476.0097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)N2CCN(CC2C3=CC=C(C=C3)C(=O)C4=CC=NC=C4)C(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)N2CCN(C[C@H]2C3=CC=C(C=C3)C(=O)C4=CC=NC=C4)C(=O)C(C)(C)C

InChI

InChI=1S/C28H30ClN3O2/c1-19-17-23(29)9-10-24(19)32-16-15-31(27(34)28(2,3)4)18-25(32)20-5-7-21(8-6-20)26(33)22-11-13-30-14-12-22/h5-14,17,25H,15-16,18H2,1-4H3/t25-/m0/s1