4-(azepan-1-yl)-2-methyl-7-[3-(trifluoromethyl)phenyl]quinazoline

Systemtic Name: 4-(azepan-1-yl)-2-methyl-7-[3-(trifluoromethyl)phenyl]quinazoline Openeye Name: 4-(azepan-1-yl)-2-methyl-7-[3-(trifluoromethyl)phenyl]quinazoline CAS Name: 4-(1-azepanyl)-2-methyl-7-[3-(trifluoromethyl)phenyl]quinazoline IUPAC Name: 4-(azepan-1-yl)-2-methyl-7-[3-(trifluoromethyl)phenyl]quinazoline Traditional Name: 4-(azepan-1-yl)-2-methyl-7-[3-(trifluoromethyl)phenyl]quinazoline Formula: C22H22F3N3 MolecularWeight: 385.42539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C3=CC(=CC=C3)C(F)(F)F)C(=N1)N4CCCCCC4

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C3=CC(=CC=C3)C(F)(F)F)C(=N1)N4CCCCCC4

InChI

InChI=1S/C22H22F3N3/c1-15-26-20-14-17(16-7-6-8-18(13-16)22(23,24)25)9-10-19(20)21(27-15)28-11-4-2-3-5-12-28/h6-10,13-14H,2-5,11-12H2,1H3