5-[(6-chloranyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

Systemtic Name: 5-[(6-chloranyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide Openeye Name: 5-[(6-chloro-1-oxo-4-phenyl-3-propanoyl-2-isoquinolyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide CAS Name: 5-[[6-chloro-1-oxo-3-(1-oxopropyl)-4-phenyl-2-isoquinolinyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide IUPAC Name: 5-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide Traditional Name: 5-[(6-chloro-1-keto-4-phenyl-3-propionyl-2-isoquinolyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide Formula: C24H21ClN4O3 MolecularWeight: 448.90154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC(=NN3)C(=O)NC)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC(=NN3)C(=O)NC)C4=CC=CC=C4

InChI

InChI=1S/C24H21ClN4O3/c1-3-20(30)22-21(14-7-5-4-6-8-14)18-11-15(25)9-10-17(18)24(32)29(22)13-16-12-19(28-27-16)23(31)26-2/h4-12H,3,13H2,1-2H3,(H,26,31)(H,27,28)