6-chloranyl-7-methyl-4-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-4-[[4-(2-keto-2-pyrrolidino-ethyl)piperazino]methyl]-7-methyl-coumarin Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC(=O)N4CCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC(=O)N4CCCC4)Cl

InChI

InChI=1S/C21H26ClN3O3/c1-15-10-19-17(12-18(15)22)16(11-21(27)28-19)13-23-6-8-24(9-7-23)14-20(26)25-4-2-3-5-25/h10-12H,2-9,13-14H2,1H3