3-[2-[(6-azanyl-8-bromanyl-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]phenyl]-N-ethyl-N-(phenylmethyl)propanamide

Systemtic Name: 3-[2-[(6-azanyl-8-bromanyl-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]phenyl]-N-ethyl-N-(phenylmethyl)propanamide Openeye Name: 3-[2-[(6-amino-8-bromo-5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]phenyl]-N-benzyl-N-ethyl-propanamide CAS Name: 3-[2-[(6-amino-8-bromo-5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]phenyl]-N-ethyl-N-(phenylmethyl)propanamide IUPAC Name: 3-[2-[(6-amino-8-bromo-5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]phenyl]-N-benzyl-N-ethylpropanamide Traditional Name: 3-[2-[(6-amino-8-bromo-4-keto-5-methyl-3,1-benzoxazin-2-yl)amino]phenyl]-N-benzyl-N-ethyl-propionamide Formula: C27H27BrN4O3 MolecularWeight: 535.43228

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)CCC2=CC=CC=C2NC3=NC4=C(C=C(C(=C4C(=O)O3)C)N)Br

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)CCC2=CC=CC=C2NC3=NC4=C(C=C(C(=C4C(=O)O3)C)N)Br

InChI

InChI=1S/C27H27BrN4O3/c1-3-32(16-18-9-5-4-6-10-18)23(33)14-13-19-11-7-8-12-22(19)30-27-31-25-20(28)15-21(29)17(2)24(25)26(34)35-27/h4-12,15H,3,13-14,16,29H2,1-2H3,(H,30,31)