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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

InChI

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