4-(1,4-diazepan-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile

Systemtic Name: 4-(1,4-diazepan-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile Openeye Name: 4-(1,4-diazepan-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile CAS Name: 4-(1,4-diazepan-1-yl)-6-[3-(trifluoromethyl)phenyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(1,4-diazepan-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile Traditional Name: 4-(1,4-diazepan-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile Formula: C17H16F3N5 MolecularWeight: 347.33765

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=NC(=NC(=C2)C3=CC(=CC=C3)C(F)(F)F)C#N

Isomeric SMILES

C1CNCCN(C1)C2=NC(=NC(=C2)C3=CC(=CC=C3)C(F)(F)F)C#N

InChI

InChI=1S/C17H16F3N5/c18-17(19,20)13-4-1-3-12(9-13)14-10-16(24-15(11-21)23-14)25-7-2-5-22-6-8-25/h1,3-4,9-10,22H,2,5-8H2