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

Systemtic Name: 4-(4-methyl-1,4-diazepan-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile Openeye Name: 4-(4-methyl-1,4-diazepan-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile CAS Name: 4-(4-methyl-1,4-diazepan-1-yl)-6-[3-(trifluoromethyl)phenyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(4-methyl-1,4-diazepan-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile Traditional Name: 4-(4-methyl-1,4-diazepan-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile Formula: C18H18F3N5 MolecularWeight: 361.36423

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=NC(=NC(=C2)C3=CC(=CC=C3)C(F)(F)F)C#N

Isomeric SMILES

CN1CCCN(CC1)C2=NC(=NC(=C2)C3=CC(=CC=C3)C(F)(F)F)C#N

InChI

InChI=1S/C18H18F3N5/c1-25-6-3-7-26(9-8-25)17-11-15(23-16(12-22)24-17)13-4-2-5-14(10-13)18(19,20)21/h2,4-5,10-11H,3,6-9H2,1H3