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

Systemtic Name: 4-[[4-[(2-bromanyl-5-ethoxy-phenyl)methyl]piperidin-1-yl]methyl]-3-methyl-1-(phenylmethyl)-1,3-diazinan-2-one Openeye Name: 1-benzyl-4-[[4-[(2-bromo-5-ethoxy-phenyl)methyl]-1-piperidyl]methyl]-3-methyl-hexahydropyrimidin-2-one CAS Name: 4-[[4-[(2-bromo-5-ethoxyphenyl)methyl]-1-piperidinyl]methyl]-3-methyl-1-(phenylmethyl)-1,3-diazinan-2-one IUPAC Name: 1-benzyl-4-[[4-[(2-bromo-5-ethoxyphenyl)methyl]piperidin-1-yl]methyl]-3-methyl-1,3-diazinan-2-one Traditional Name: 1-benzyl-4-[[4-(2-bromo-5-ethoxy-benzyl)piperidino]methyl]-3-methyl-hexahydropyrimidin-2-one Formula: C27H36BrN3O2 MolecularWeight: 514.49764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3CCN(C(=O)N3C)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3CCN(C(=O)N3C)CC4=CC=CC=C4

InChI

InChI=1S/C27H36BrN3O2/c1-3-33-25-9-10-26(28)23(18-25)17-21-11-14-30(15-12-21)20-24-13-16-31(27(32)29(24)2)19-22-7-5-4-6-8-22/h4-10,18,21,24H,3,11-17,19-20H2,1-2H3