7,8-dimethyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[4-(2-pyridylmethyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[4-(2-pyridylmethyl)piperazino]methyl]coumarin Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=CC=N4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=CC=N4)C

InChI

InChI=1S/C22H25N3O2/c1-16-6-7-20-18(13-21(26)27-22(20)17(16)2)14-24-9-11-25(12-10-24)15-19-5-3-4-8-23-19/h3-8,13H,9-12,14-15H2,1-2H3