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

Systemtic Name: 4-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]methyl]-6,7-dimethyl-coumarin Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)CC(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)CC(=O)N4CCCCCC4)C

InChI

InChI=1S/C24H33N3O3/c1-18-13-21-20(15-24(29)30-22(21)14-19(18)2)16-25-9-11-26(12-10-25)17-23(28)27-7-5-3-4-6-8-27/h13-15H,3-12,16-17H2,1-2H3