4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[4-(3-chlorobenzyl)piperazino]methyl]-7-hydroxy-8-methyl-coumarin Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CN3CCN(CC3)CC4=CC(=CC=C4)Cl)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CN3CCN(CC3)CC4=CC(=CC=C4)Cl)O

InChI

InChI=1S/C22H23ClN2O3/c1-15-20(26)6-5-19-17(12-21(27)28-22(15)19)14-25-9-7-24(8-10-25)13-16-3-2-4-18(23)11-16/h2-6,11-12,26H,7-10,13-14H2,1H3