2-(phenylmethyl)-4-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine

Systemtic Name: 2-(phenylmethyl)-4-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine Openeye Name: 2-benzyl-4-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine CAS Name: 2-(phenylmethyl)-4-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine IUPAC Name: 2-benzyl-4-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine Traditional Name: 2-benzyl-4-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimid[4,5-d]azepine Formula: C22H20F3N3 MolecularWeight: 383.40951

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=NC(=NC(=C21)C3=CC=C(C=C3)C(F)(F)F)CC4=CC=CC=C4

Isomeric SMILES

C1CNCCC2=NC(=NC(=C21)C3=CC=C(C=C3)C(F)(F)F)CC4=CC=CC=C4

InChI

InChI=1S/C22H20F3N3/c23-22(24,25)17-8-6-16(7-9-17)21-18-10-12-26-13-11-19(18)27-20(28-21)14-15-4-2-1-3-5-15/h1-9,26H,10-14H2