6-(azepan-1-ylcarbonyl)-2,2-dimethyl-4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-(azepan-1-ylcarbonyl)-2,2-dimethyl-4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-(azepane-1-carbonyl)-2,2-dimethyl-4-[2-oxo-2-(p-tolyl)ethyl]-1,4-benzoxazin-3-one CAS Name: 6-[1-azepanyl(oxo)methyl]-2,2-dimethyl-4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(azepane-1-carbonyl)-2,2-dimethyl-4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-(azepane-1-carbonyl)-4-[2-keto-2-(p-tolyl)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C3=C(C=CC(=C3)C(=O)N4CCCCCC4)OC(C2=O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C3=C(C=CC(=C3)C(=O)N4CCCCCC4)OC(C2=O)(C)C

InChI

InChI=1S/C26H30N2O4/c1-18-8-10-19(11-9-18)22(29)17-28-21-16-20(24(30)27-14-6-4-5-7-15-27)12-13-23(21)32-26(2,3)25(28)31/h8-13,16H,4-7,14-15,17H2,1-3H3