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

Systemtic Name: 3-[(6-chloranyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)methyl]-N-ethyl-pyrazole-1-carboxamide Openeye Name: 3-[(6-chloro-1-oxo-4-phenyl-3-propanoyl-2-isoquinolyl)methyl]-N-ethyl-pyrazole-1-carboxamide CAS Name: 3-[[6-chloro-1-oxo-3-(1-oxopropyl)-4-phenyl-2-isoquinolinyl]methyl]-N-ethyl-1-pyrazolecarboxamide IUPAC Name: 3-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2-yl)methyl]-N-ethylpyrazole-1-carboxamide Traditional Name: 3-[(6-chloro-1-keto-4-phenyl-3-propionyl-2-isoquinolyl)methyl]-N-ethyl-pyrazole-1-carboxamide Formula: C25H23ClN4O3 MolecularWeight: 462.92812

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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)NCC)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=NN(C=C3)C(=O)NCC)C4=CC=CC=C4

InChI

InChI=1S/C25H23ClN4O3/c1-3-21(31)23-22(16-8-6-5-7-9-16)20-14-17(26)10-11-19(20)24(32)29(23)15-18-12-13-30(28-18)25(33)27-4-2/h5-14H,3-4,15H2,1-2H3,(H,27,33)