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

Systemtic Name: 3-[[(2R)-2-morpholin-4-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]benzonitrile CAS Name: 3-[[(2R)-2-[4-morpholinyl(oxo)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-oxomethyl]benzonitrile IUPAC Name: 3-[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]benzonitrile Traditional Name: 3-[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]benzonitrile Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2CN(C3=CC=CC=C3O2)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1COCCN1C(=O)[C@H]2CN(C3=CC=CC=C3O2)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H19N3O4/c22-13-15-4-3-5-16(12-15)20(25)24-14-19(21(26)23-8-10-27-11-9-23)28-18-7-2-1-6-17(18)24/h1-7,12,19H,8-11,14H2/t19-/m1/s1