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

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-4-[[4-(2-keto-2-piperidino-ethyl)piperazino]methyl]-7-methyl-coumarin Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC(=O)N4CCCCC4)Cl

InChI

InChI=1S/C22H28ClN3O3/c1-16-11-20-18(13-19(16)23)17(12-22(28)29-20)14-24-7-9-25(10-8-24)15-21(27)26-5-3-2-4-6-26/h11-13H,2-10,14-15H2,1H3