3-[1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-1-oxidanylidene-propan-2-yl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-1-oxidanylidene-propan-2-yl]-1,3-benzoxazol-2-one Openeye Name: 3-[1-methyl-2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 3-[1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one IUPAC Name: 3-[1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-1-methyl-2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethyl]-1,3-benzoxazol-2-one Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1C2=CC=CN2C)N3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC(C(=O)N1CCCCCC1C2=CC=CN2C)N3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H25N3O3/c1-15(24-18-10-5-6-12-19(18)27-21(24)26)20(25)23-14-7-3-4-9-17(23)16-11-8-13-22(16)2/h5-6,8,10-13,15,17H,3-4,7,9,14H2,1-2H3