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

Systemtic Name: 3-[[(2R)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]benzonitrile CAS Name: 3-[oxo-[(2R)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzonitrile IUPAC Name: 3-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]benzonitrile Traditional Name: 3-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]benzonitrile Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H]2CN(C3=CC=CC=C3O2)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H21N3O3/c23-14-16-7-6-8-17(13-16)21(26)25-15-20(22(27)24-11-4-1-5-12-24)28-19-10-3-2-9-18(19)25/h2-3,6-10,13,20H,1,4-5,11-12,15H2/t20-/m1/s1