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

Systemtic Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-[3-(trifluoromethyl)phenyl]methanone Openeye Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-[3-(trifluoromethyl)phenyl]methanone CAS Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-[3-(trifluoromethyl)phenyl]methanone IUPAC Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-1,4-diazepan-1-yl]-[3-(trifluoromethyl)phenyl]methanone Traditional Name: [4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-[3-(trifluoromethyl)phenyl]methanone Formula: C31H28ClF3N4O MolecularWeight: 565.02843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)C(F)(F)F)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)C(F)(F)F)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H28ClF3N4O/c1-21-27(19-22-11-13-26(32)14-12-22)29(37-28(36-21)23-7-3-2-4-8-23)38-15-6-16-39(18-17-38)30(40)24-9-5-10-25(20-24)31(33,34)35/h2-5,7-14,20H,6,15-19H2,1H3