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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-13(21)16-8-9-18-17(10-16)23(20(25)12-26-18)11-19(24)22-14(2)15-6-4-3-5-7-15/h3-10,13-14H,11-12,21H2,1-2H3,(H,22,24)/t13-,14+/m0/s1