2-[6-[(1S)-1-azanylethyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[6-[(1S)-1-azanylethyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[6-[(1S)-1-aminoethyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[6-[(1S)-1-aminoethyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[6-[(1S)-1-aminoethyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[6-[(1S)-1-aminoethyl]-3-keto-1,4-benzoxazin-4-yl]-N-(3,5-dimethylphenyl)acetamide Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)C(C)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[C@H](C)N)C

InChI

InChI=1S/C20H23N3O3/c1-12-6-13(2)8-16(7-12)22-19(24)10-23-17-9-15(14(3)21)4-5-18(17)26-11-20(23)25/h4-9,14H,10-11,21H2,1-3H3,(H,22,24)/t14-/m0/s1