(2S)-7-azanyl-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2-phenyl-1,4-benzoxazin-3-one

Systemtic Name: (2S)-7-azanyl-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2-phenyl-1,4-benzoxazin-3-one Openeye Name: (2S)-7-amino-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2-phenyl-1,4-benzoxazin-3-one CAS Name: (2S)-7-amino-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-phenyl-1,4-benzoxazin-3-one IUPAC Name: (2S)-7-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenyl-1,4-benzoxazin-3-one Traditional Name: (2S)-7-amino-4-(2-keto-2-pyrrolidino-ethyl)-2-phenyl-1,4-benzoxazin-3-one Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C3=C(C=C(C=C3)N)OC(C2=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CN2C3=C(C=C(C=C3)N)O[C@H](C2=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3/c21-15-8-9-16-17(12-15)26-19(14-6-2-1-3-7-14)20(25)23(16)13-18(24)22-10-4-5-11-22/h1-3,6-9,12,19H,4-5,10-11,13,21H2/t19-/m0/s1