3-[(2S)-2-cyano-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)ethanoyl]benzenecarbonitrile

Systemtic Name: 3-[(2S)-2-cyano-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)ethanoyl]benzenecarbonitrile Openeye Name: 3-[(2S)-2-cyano-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)acetyl]benzonitrile CAS Name: 3-[(2S)-2-cyano-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-oxoethyl]benzonitrile IUPAC Name: 3-[(2S)-2-cyano-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetyl]benzonitrile Traditional Name: 3-[(2S)-2-cyano-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)acetyl]benzonitrile Formula: C22H18N6O2 MolecularWeight: 398.41732

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C(C#N)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)[C@H](C#N)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H18N6O2/c23-14-16-5-4-6-17(13-16)20(29)19(15-24)21-25-26-22(27-9-11-30-12-10-27)28(21)18-7-2-1-3-8-18/h1-8,13,19H,9-12H2/t19-/m1/s1