4-chloranyl-N3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-N1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzene-1,3-dicarboxamide

Systemtic Name: 4-chloranyl-N3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-N1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzene-1,3-dicarboxamide Openeye Name: 4-chloro-N3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-N1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzene-1,3-dicarboxamide CAS Name: 4-chloro-N3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-N1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzene-1,3-dicarboxamide IUPAC Name: 4-chloro-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-N-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzene-1,3-dicarboxamide Traditional Name: 4-chloro-N'-(1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]isophthalamide Formula: C24H18ClF3N6O2 MolecularWeight: 514.88693

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)C(=O)NC4=CN=C5C(=C4)C=CN5)C(F)(F)F

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)C(=O)NC4=CN=C5C(=C4)C=CN5)C(F)(F)F

InChI

InChI=1S/C24H18ClF3N6O2/c25-17-6-5-13(10-16(17)22(36)31-14-9-12-7-8-29-20(12)30-11-14)21(35)34-23-32-18-4-2-1-3-15(18)19(33-23)24(26,27)28/h5-11H,1-4H2,(H,29,30)(H,31,36)(H,32,33,34,35)