2-pyridin-4-yl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]quinazoline

Systemtic Name: 2-pyridin-4-yl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]quinazoline Openeye Name: 2-(4-pyridyl)-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]quinazoline CAS Name: 2-pyridin-4-yl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]quinazoline IUPAC Name: 2-pyridin-4-yl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]quinazoline Traditional Name: 2-(4-pyridyl)-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]quinazoline Formula: C24H21F3N6 MolecularWeight: 450.45895

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4)C5=NC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4)C5=NC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C24H21F3N6/c25-24(26,27)18-6-7-21(29-16-18)32-12-3-13-33(15-14-32)23-19-4-1-2-5-20(19)30-22(31-23)17-8-10-28-11-9-17/h1-2,4-11,16H,3,12-15H2