3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylchromen-2-one Openeye Name: 3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]chromen-2-one CAS Name: 3-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]chromen-2-one Traditional Name: 3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]coumarin Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H22N2O3/c1-22-12-7-10-17(22)18-9-3-2-6-13-23(18)20(24)16-14-15-8-4-5-11-19(15)26-21(16)25/h4-5,7-8,10-12,14,18H,2-3,6,9,13H2,1H3