1-[(4-propan-2-ylphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[(4-propan-2-ylphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(4-isopropylphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(4-propan-2-ylphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(4-propan-2-ylphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[p-cumenyl-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C22H27F3N2 MolecularWeight: 376.45839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCNCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCNCC3

InChI

InChI=1S/C22H27F3N2/c1-16(2)17-7-9-18(10-8-17)21(27-13-4-11-26-12-14-27)19-5-3-6-20(15-19)22(23,24)25/h3,5-10,15-16,21,26H,4,11-14H2,1-2H3