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

Systemtic Name: 4-[[4-[(2-bromanyl-5-propan-2-yloxy-phenyl)methyl]piperidin-1-yl]methyl]-3-methyl-1-(phenylmethyl)-1,3-diazinan-2-one Openeye Name: 1-benzyl-4-[[4-[(2-bromo-5-isopropoxy-phenyl)methyl]-1-piperidyl]methyl]-3-methyl-hexahydropyrimidin-2-one CAS Name: 4-[[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]-1-piperidinyl]methyl]-3-methyl-1-(phenylmethyl)-1,3-diazinan-2-one IUPAC Name: 1-benzyl-4-[[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-methyl-1,3-diazinan-2-one Traditional Name: 1-benzyl-4-[[4-(2-bromo-5-isopropoxy-benzyl)piperidino]methyl]-3-methyl-hexahydropyrimidin-2-one Formula: C28H38BrN3O2 MolecularWeight: 528.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3CCN(C(=O)N3C)CC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3CCN(C(=O)N3C)CC4=CC=CC=C4

InChI

InChI=1S/C28H38BrN3O2/c1-21(2)34-26-9-10-27(29)24(18-26)17-22-11-14-31(15-12-22)20-25-13-16-32(28(33)30(25)3)19-23-7-5-4-6-8-23/h4-10,18,21-22,25H,11-17,19-20H2,1-3H3