[3,5-bis(trifluoromethyl)phenyl]-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Formula: C29H30F6N4O MolecularWeight: 564.565119

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CC4=CC=C(C=C4)C

InChI

InChI=1S/C29H30F6N4O/c1-4-25-24(14-20-8-6-18(2)7-9-20)26(37-19(3)36-25)38-10-5-11-39(13-12-38)27(40)21-15-22(28(30,31)32)17-23(16-21)29(33,34)35/h6-9,15-17H,4-5,10-14H2,1-3H3