(2S)-2-(7-azanyl-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N-(2,5-dimethylphenyl)propanamide

Systemtic Name: (2S)-2-(7-azanyl-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N-(2,5-dimethylphenyl)propanamide Openeye Name: (2S)-2-(7-amino-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N-(2,5-dimethylphenyl)propanamide CAS Name: (2S)-2-(7-amino-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N-(2,5-dimethylphenyl)propanamide IUPAC Name: (2S)-2-(7-amino-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N-(2,5-dimethylphenyl)propanamide Traditional Name: (2S)-2-(7-amino-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N-(2,5-dimethylphenyl)propionamide Formula: C21H27N3O2 MolecularWeight: 353.45798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)N2CC(OC3=C2C=CC(=C3)N)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)N2CC(OC3=C2C=CC(=C3)N)(C)C

InChI

InChI=1S/C21H27N3O2/c1-13-6-7-14(2)17(10-13)23-20(25)15(3)24-12-21(4,5)26-19-11-16(22)8-9-18(19)24/h6-11,15H,12,22H2,1-5H3,(H,23,25)/t15-/m0/s1