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

Systemtic Name: 5-[(6-chloranyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)methyl]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 5-[(6-chloro-1-oxo-4-phenyl-3-propanoyl-2-isoquinolyl)methyl]-2-ethyl-pyrazole-3-carboxamide CAS Name: 5-[[6-chloro-1-oxo-3-(1-oxopropyl)-4-phenyl-2-isoquinolinyl]methyl]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 5-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2-yl)methyl]-2-ethylpyrazole-3-carboxamide Traditional Name: 5-[(6-chloro-1-keto-4-phenyl-3-propionyl-2-isoquinolyl)methyl]-2-ethyl-pyrazole-3-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)N)CC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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