7,8-dimethyl-4-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 4-[[4-(2-keto-2-pyrrolidino-ethyl)piperazino]methyl]-7,8-dimethyl-coumarin Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC(=O)N4CCCC4)C

InChI

InChI=1S/C22H29N3O3/c1-16-5-6-19-18(13-21(27)28-22(19)17(16)2)14-23-9-11-24(12-10-23)15-20(26)25-7-3-4-8-25/h5-6,13H,3-4,7-12,14-15H2,1-2H3