(4-phenethyl-1,4-diazepan-1-yl)-[2-(trifluoromethyl)-1,6-naphthyridin-3-yl]methanone

Systemtic Name: (4-phenethyl-1,4-diazepan-1-yl)-[2-(trifluoromethyl)-1,6-naphthyridin-3-yl]methanone Openeye Name: (4-phenethyl-1,4-diazepan-1-yl)-[2-(trifluoromethyl)-1,6-naphthyridin-3-yl]methanone CAS Name: (4-phenethyl-1,4-diazepan-1-yl)-[2-(trifluoromethyl)-1,6-naphthyridin-3-yl]methanone IUPAC Name: (4-phenethyl-1,4-diazepan-1-yl)-[2-(trifluoromethyl)-1,6-naphthyridin-3-yl]methanone Traditional Name: (4-phenethyl-1,4-diazepan-1-yl)-[2-(trifluoromethyl)-1,6-naphthyridin-3-yl]methanone Formula: C23H23F3N4O MolecularWeight: 428.45013

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(N=C3C=CN=CC3=C2)C(F)(F)F)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(N=C3C=CN=CC3=C2)C(F)(F)F)CCC4=CC=CC=C4

InChI

InChI=1S/C23H23F3N4O/c24-23(25,26)21-19(15-18-16-27-9-7-20(18)28-21)22(31)30-11-4-10-29(13-14-30)12-8-17-5-2-1-3-6-17/h1-3,5-7,9,15-16H,4,8,10-14H2