N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-keto-N-methyl-2H-isoquinoline-3-carboxamide Formula: C27H21ClN4O2 MolecularWeight: 468.93424

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5C(=O)N4

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C27H21ClN4O2/c1-31(27(34)24-15-19-7-5-6-10-23(19)26(33)29-24)16-20-17-32(22-8-3-2-4-9-22)30-25(20)18-11-13-21(28)14-12-18/h2-15,17H,16H2,1H3,(H,29,33)