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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34ClN3O2/c1-3-32-24-9-10-25(27)21(18-24)17-20-11-14-29(15-12-20)19-23-13-16-30(26(31)28(23)2)22-7-5-4-6-8-22/h4-10,18,20,23H,3,11-17,19H2,1-2H3