(2S)-4-ethanoyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-ethanoyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC(=O)N1C[C@H](OC2=CC=CC=C21)C(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O3/c1-14(25)24-13-20(27-19-9-5-4-8-18(19)24)21(26)22-11-10-15-12-23-17-7-3-2-6-16(15)17/h2-9,12,20,23H,10-11,13H2,1H3,(H,22,26)/t20-/m0/s1