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

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-7-methyl-chromen-2-one Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-7-methyl-chromen-2-one CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-7-methylchromen-2-one Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-7-methyl-coumarin Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C18H21NO3/c1-13-6-7-15-14(12-18(21)22-16(15)10-13)11-17(20)19-8-4-2-3-5-9-19/h6-7,10,12H,2-5,8-9,11H2,1H3