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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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