N-methyl-2-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide

Systemtic Name: N-methyl-2-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide Openeye Name: N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide CAS Name: N-methyl-2-oxo-N-[(1-phenyl-4-pyrazolyl)methyl]-1H-quinoline-4-carboxamide IUPAC Name: N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H18N4O2/c1-24(13-15-12-22-25(14-15)16-7-3-2-4-8-16)21(27)18-11-20(26)23-19-10-6-5-9-17(18)19/h2-12,14H,13H2,1H3,(H,23,26)