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

Systemtic Name: 4-[[4-[(2-chloranyl-5-propan-2-yloxy-phenyl)methyl]piperidin-1-yl]methyl]-1-phenyl-1,3-diazinan-2-one Openeye Name: 4-[[4-[(2-chloro-5-isopropoxy-phenyl)methyl]-1-piperidyl]methyl]-1-phenyl-hexahydropyrimidin-2-one CAS Name: 4-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]-1-piperidinyl]methyl]-1-phenyl-1,3-diazinan-2-one IUPAC Name: 4-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-1-phenyl-1,3-diazinan-2-one Traditional Name: 4-[[4-(2-chloro-5-isopropoxy-benzyl)piperidino]methyl]-1-phenyl-hexahydropyrimidin-2-one Formula: C26H34ClN3O2 MolecularWeight: 456.02006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)Cl)CC2CCN(CC2)CC3CCN(C(=O)N3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)Cl)CC2CCN(CC2)CC3CCN(C(=O)N3)C4=CC=CC=C4

InChI

InChI=1S/C26H34ClN3O2/c1-19(2)32-24-8-9-25(27)21(17-24)16-20-10-13-29(14-11-20)18-22-12-15-30(26(31)28-22)23-6-4-3-5-7-23/h3-9,17,19-20,22H,10-16,18H2,1-2H3,(H,28,31)