4-chloranyl-N1-[3-(2-cyanopropan-2-yl)phenyl]-N3-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide

Systemtic Name: 4-chloranyl-N1-[3-(2-cyanopropan-2-yl)phenyl]-N3-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide Openeye Name: 4-chloro-N1-[3-(1-cyano-1-methyl-ethyl)phenyl]-N3-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide CAS Name: 4-chloro-N1-[3-(2-cyanopropan-2-yl)phenyl]-N3-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide IUPAC Name: 4-chloro-1-N-[3-(2-cyanopropan-2-yl)phenyl]-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide Traditional Name: 4-chloro-N-[3-(1-cyano-1-methyl-ethyl)phenyl]-N'-(1H-pyrrolo[2,3-b]pyridin-5-yl)isophthalamide Formula: C25H20ClN5O2 MolecularWeight: 457.9116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CN=C4C(=C3)C=CN4

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CN=C4C(=C3)C=CN4

InChI

InChI=1S/C25H20ClN5O2/c1-25(2,14-27)17-4-3-5-18(12-17)30-23(32)16-6-7-21(26)20(11-16)24(33)31-19-10-15-8-9-28-22(15)29-13-19/h3-13H,1-2H3,(H,28,29)(H,30,32)(H,31,33)