4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-methyl-2-oxidanyl-6,7,8,8a-tetrahydrochromen-5-one

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-methyl-2-oxidanyl-6,7,8,8a-tetrahydrochromen-5-one Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-hydroxy-7-methyl-6,7,8,8a-tetrahydrochromen-5-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-2-hydroxy-7-methyl-6,7,8,8a-tetrahydro-1-benzopyran-5-one IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-hydroxy-7-methyl-6,7,8,8a-tetrahydrochromen-5-one Traditional Name: 4-[[4-(3-chlorophenyl)piperazino]methyl]-2-hydroxy-7-methyl-6,7,8,8a-tetrahydrochromen-5-one Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(=C(C=C(O2)O)CN3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)C1

Isomeric SMILES

CC1CC2C(=C(C=C(O2)O)CN3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)C1

InChI

InChI=1S/C21H25ClN2O3/c1-14-9-18(25)21-15(11-20(26)27-19(21)10-14)13-23-5-7-24(8-6-23)17-4-2-3-16(22)12-17/h2-4,11-12,14,19,26H,5-10,13H2,1H3