2-[[(2S)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[(2S)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzonitrile CAS Name: 2-[[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzonitrile IUPAC Name: 2-[[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzonitrile Traditional Name: 2-[[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzonitrile Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC3=CC=CC=C3C#N

Isomeric SMILES

CC[C@H]1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC3=CC=CC=C3C#N

InChI

InChI=1S/C20H20N2O2/c1-3-18-13-22(12-17-7-5-4-6-16(17)11-21)19-10-15(14(2)23)8-9-20(19)24-18/h4-10,18H,3,12-13H2,1-2H3/t18-/m0/s1