8-[[3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 8-[[3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 8-[[3-[(2-chlorophenyl)methyl]hexahydropyrimidin-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 8-[[3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 8-[[3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 8-[[3-(2-chlorobenzyl)hexahydropyrimidin-1-yl]methyl]-7-hydroxy-coumarin Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CN(C1)CC2=C(C=CC3=C2OC(=O)C=C3)O)CC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CN(C1)CC2=C(C=CC3=C2OC(=O)C=C3)O)CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN2O3/c22-18-5-2-1-4-16(18)12-23-10-3-11-24(14-23)13-17-19(25)8-6-15-7-9-20(26)27-21(15)17/h1-2,4-9,25H,3,10-14H2