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

Systemtic Name: N-[[4-(1H-imidazol-2-ylmethyl)phenyl]methyl]-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[[4-(1H-imidazol-2-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[[4-(1H-imidazol-2-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[[4-(1H-imidazol-2-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-[4-(1H-imidazol-2-ylmethyl)benzyl]-4-keto-1H-quinoline-3-carboxamide Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)CC4=NC=CN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)CC4=NC=CN4

InChI

InChI=1S/C21H18N4O2/c26-20-16-3-1-2-4-18(16)24-13-17(20)21(27)25-12-15-7-5-14(6-8-15)11-19-22-9-10-23-19/h1-10,13H,11-12H2,(H,22,23)(H,24,26)(H,25,27)