N-(2-methylquinolin-6-yl)-3-[2-(3-phenylazanyl-1H-pyrazol-5-yl)ethyl]benzamide

Systemtic Name: N-(2-methylquinolin-6-yl)-3-[2-(3-phenylazanyl-1H-pyrazol-5-yl)ethyl]benzamide Openeye Name: 3-[2-(3-anilino-1H-pyrazol-5-yl)ethyl]-N-(2-methyl-6-quinolyl)benzamide CAS Name: 3-[2-(3-anilino-1H-pyrazol-5-yl)ethyl]-N-(2-methyl-6-quinolinyl)benzamide IUPAC Name: 3-[2-(3-anilino-1H-pyrazol-5-yl)ethyl]-N-(2-methylquinolin-6-yl)benzamide Traditional Name: 3-[2-(3-anilino-1H-pyrazol-5-yl)ethyl]-N-(2-methyl-6-quinolyl)benzamide Formula: C28H25N5O MolecularWeight: 447.531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)CCC4=CC(=NN4)NC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)CCC4=CC(=NN4)NC5=CC=CC=C5

InChI

InChI=1S/C28H25N5O/c1-19-10-12-21-17-24(14-15-26(21)29-19)31-28(34)22-7-5-6-20(16-22)11-13-25-18-27(33-32-25)30-23-8-3-2-4-9-23/h2-10,12,14-18H,11,13H2,1H3,(H,31,34)(H2,30,32,33)