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

Systemtic Name: 6-(azepan-1-ylcarbonyl)-2,2-dimethyl-4-[(4-methylphenyl)methyl]-1,4-benzoxazin-3-one Openeye Name: 6-(azepane-1-carbonyl)-2,2-dimethyl-4-(p-tolylmethyl)-1,4-benzoxazin-3-one CAS Name: 6-[1-azepanyl(oxo)methyl]-2,2-dimethyl-4-[(4-methylphenyl)methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(azepane-1-carbonyl)-2,2-dimethyl-4-[(4-methylphenyl)methyl]-1,4-benzoxazin-3-one Traditional Name: 6-(azepane-1-carbonyl)-2,2-dimethyl-4-(4-methylbenzyl)-1,4-benzoxazin-3-one Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3/c1-18-8-10-19(11-9-18)17-27-21-16-20(23(28)26-14-6-4-5-7-15-26)12-13-22(21)30-25(2,3)24(27)29/h8-13,16H,4-7,14-15,17H2,1-3H3