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

Systemtic Name: 5-[(6-chloranyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)methyl]-N-cyclopropyl-2-methyl-pyrazole-3-carboxamide Openeye Name: 5-[(6-chloro-1-oxo-4-phenyl-3-propanoyl-2-isoquinolyl)methyl]-N-cyclopropyl-2-methyl-pyrazole-3-carboxamide CAS Name: 5-[[6-chloro-1-oxo-3-(1-oxopropyl)-4-phenyl-2-isoquinolinyl]methyl]-N-cyclopropyl-2-methyl-3-pyrazolecarboxamide IUPAC Name: 5-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2-yl)methyl]-N-cyclopropyl-2-methylpyrazole-3-carboxamide Traditional Name: 5-[(6-chloro-1-keto-4-phenyl-3-propionyl-2-isoquinolyl)methyl]-N-cyclopropyl-2-methyl-pyrazole-3-carboxamide Formula: C27H25ClN4O3 MolecularWeight: 488.9654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=NN(C(=C3)C(=O)NC4CC4)C)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=NN(C(=C3)C(=O)NC4CC4)C)C5=CC=CC=C5

InChI

InChI=1S/C27H25ClN4O3/c1-3-23(33)25-24(16-7-5-4-6-8-16)21-13-17(28)9-12-20(21)27(35)32(25)15-19-14-22(31(2)30-19)26(34)29-18-10-11-18/h4-9,12-14,18H,3,10-11,15H2,1-2H3,(H,29,34)