(2S)-2-(7-azanyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-(7-azanyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: (2S)-2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: (2S)-2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: (2S)-2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: (2S)-2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)N2CCOC3=C2C=CC(=C3)N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H](C)N2CCOC3=C2C=CC(=C3)N)C

InChI

InChI=1S/C20H25N3O2/c1-4-15-7-5-6-13(2)19(15)22-20(24)14(3)23-10-11-25-18-12-16(21)8-9-17(18)23/h5-9,12,14H,4,10-11,21H2,1-3H3,(H,22,24)/t14-/m0/s1