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

Systemtic Name: 7-chloranyl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]quinazoline Openeye Name: 7-chloro-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]quinazoline CAS Name: 7-chloro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]quinazoline IUPAC Name: 7-chloro-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]quinazoline Traditional Name: 7-chloro-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]quinazoline Formula: C19H17ClF3N5 MolecularWeight: 407.81999

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=NC3=C2C=CC(=C3)Cl)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C2=NC=NC3=C2C=CC(=C3)Cl)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H17ClF3N5/c20-14-3-4-15-16(10-14)25-12-26-18(15)28-7-1-6-27(8-9-28)17-5-2-13(11-24-17)19(21,22)23/h2-5,10-12H,1,6-9H2