3-[[5-(morpholin-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[5-(morpholin-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[5-(morpholinomethyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[5-(4-morpholinylmethyl)-4-(trifluoromethyl)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[5-(morpholin-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[5-(morpholinomethyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzonitrile Formula: C17H16F3N5O MolecularWeight: 363.33705

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CN=C(N=C2C(F)(F)F)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1COCCN1CC2=CN=C(N=C2C(F)(F)F)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H16F3N5O/c18-17(19,20)15-13(11-25-4-6-26-7-5-25)10-22-16(24-15)23-14-3-1-2-12(8-14)9-21/h1-3,8,10H,4-7,11H2,(H,22,23,24)