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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

InChI

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