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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)N2CC(OC3=C2C=CC(=C3)N)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)N2CC(OC3=C2C=CC(=C3)N)(C)C

InChI

InChI=1S/C21H27N3O2/c1-5-15-6-9-17(10-7-15)23-20(25)14(2)24-13-21(3,4)26-19-12-16(22)8-11-18(19)24/h6-12,14H,5,13,22H2,1-4H3,(H,23,25)/t14-/m0/s1