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

Systemtic Name: 4-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]methyl]-6-chloro-7-methyl-coumarin Formula: C23H30ClN3O3 MolecularWeight: 431.9556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC(=O)N4CCCCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C23H30ClN3O3/c1-17-12-21-19(14-20(17)24)18(13-23(29)30-21)15-25-8-10-26(11-9-25)16-22(28)27-6-4-2-3-5-7-27/h12-14H,2-11,15-16H2,1H3