6-chloranyl-N-[[3-(1H-imidazol-2-ylmethyl)phenyl]methyl]-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: 6-chloranyl-N-[[3-(1H-imidazol-2-ylmethyl)phenyl]methyl]-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: 6-chloro-N-[[3-(1H-imidazol-2-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: 6-chloro-N-[[3-(1H-imidazol-2-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: 6-chloro-N-[[3-(1H-imidazol-2-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide Traditional Name: 6-chloro-N-[3-(1H-imidazol-2-ylmethyl)benzyl]-4-keto-1H-quinoline-3-carboxamide Formula: C21H17ClN4O2 MolecularWeight: 392.83828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)Cl)CC4=NC=CN4

Isomeric SMILES

C1=CC(=CC(=C1)CNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)Cl)CC4=NC=CN4

InChI

InChI=1S/C21H17ClN4O2/c22-15-4-5-18-16(10-15)20(27)17(12-25-18)21(28)26-11-14-3-1-2-13(8-14)9-19-23-6-7-24-19/h1-8,10,12H,9,11H2,(H,23,24)(H,25,27)(H,26,28)