6-chloranyl-3-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-chloranyl-3-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one Openeye Name: 6-chloro-3-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxo-propyl]-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[3-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-3-oxopropyl]-1,3-benzoxazol-2-one IUPAC Name: 6-chloro-3-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[3-keto-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propyl]-1,3-benzoxazol-2-one Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C21H24ClN3O3/c1-23-11-5-7-16(23)17-6-3-2-4-12-24(17)20(26)10-13-25-18-9-8-15(22)14-19(18)28-21(25)27/h5,7-9,11,14,17H,2-4,6,10,12-13H2,1H3