2-pyridin-3-yl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]quinazoline

Systemtic Name: 2-pyridin-3-yl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]quinazoline Openeye Name: 2-(3-pyridyl)-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]quinazoline CAS Name: 2-(3-pyridinyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]quinazoline IUPAC Name: 2-pyridin-3-yl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]quinazoline Traditional Name: 2-(3-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=CN=CC=C4)C5=NC=C(C=C5)C(F)(F)F

Isomeric SMILES

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

InChI

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