4-[[4-[(2-chloranyl-5-propan-2-yloxy-phenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-methyl-1,3-diazinan-2-one

Systemtic Name: 4-[[4-[(2-chloranyl-5-propan-2-yloxy-phenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-methyl-1,3-diazinan-2-one Openeye Name: 4-[[4-[(2-chloro-5-isopropoxy-phenyl)methyl]-1-piperidyl]methyl]-1-cyclohexyl-3-methyl-hexahydropyrimidin-2-one CAS Name: 4-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]-1-piperidinyl]methyl]-1-cyclohexyl-3-methyl-1,3-diazinan-2-one IUPAC Name: 4-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-methyl-1,3-diazinan-2-one Traditional Name: 4-[[4-(2-chloro-5-isopropoxy-benzyl)piperidino]methyl]-1-cyclohexyl-3-methyl-hexahydropyrimidin-2-one Formula: C27H42ClN3O2 MolecularWeight: 476.09428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)Cl)CC2CCN(CC2)CC3CCN(C(=O)N3C)C4CCCCC4

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)Cl)CC2CCN(CC2)CC3CCN(C(=O)N3C)C4CCCCC4

InChI

InChI=1S/C27H42ClN3O2/c1-20(2)33-25-9-10-26(28)22(18-25)17-21-11-14-30(15-12-21)19-24-13-16-31(27(32)29(24)3)23-7-5-4-6-8-23/h9-10,18,20-21,23-24H,4-8,11-17,19H2,1-3H3