1-[[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]methyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]methyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]methyl]-3-(5-isoquinolyl)urea CAS Name: 1-[[4-(1-azepanyl)-3-(trifluoromethyl)phenyl]methyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]methyl]-3-isoquinolin-5-ylurea Traditional Name: 1-[4-(azepan-1-yl)-3-(trifluoromethyl)benzyl]-3-(5-isoquinolyl)urea Formula: C24H25F3N4O MolecularWeight: 442.47671

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4)C(F)(F)F

InChI

InChI=1S/C24H25F3N4O/c25-24(26,27)20-14-17(8-9-22(20)31-12-3-1-2-4-13-31)15-29-23(32)30-21-7-5-6-18-16-28-11-10-19(18)21/h5-11,14,16H,1-4,12-13,15H2,(H2,29,30,32)