2-[[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzonitrile CAS Name: 2-[[(2S)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzonitrile IUPAC Name: 2-[[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzonitrile Traditional Name: 2-[[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzonitrile Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)CC4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CN(C3=CC=CC=C3O2)CC4=CC=CC=C4C#N

InChI

InChI=1S/C22H23N3O2/c23-14-17-8-2-3-9-18(17)15-25-16-21(22(26)24-12-6-1-7-13-24)27-20-11-5-4-10-19(20)25/h2-5,8-11,21H,1,6-7,12-13,15-16H2/t21-/m0/s1