N-[[4-(2-methylpropanoylamino)phenyl]methyl]quinoline-2-carboxamide

Systemtic Name: N-[[4-(2-methylpropanoylamino)phenyl]methyl]quinoline-2-carboxamide Openeye Name: N-[[4-(2-methylpropanoylamino)phenyl]methyl]quinoline-2-carboxamide CAS Name: N-[[4-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-2-quinolinecarboxamide IUPAC Name: N-[[4-(2-methylpropanoylamino)phenyl]methyl]quinoline-2-carboxamide Traditional Name: N-[4-(isobutyrylamino)benzyl]quinaldamide Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H21N3O2/c1-14(2)20(25)23-17-10-7-15(8-11-17)13-22-21(26)19-12-9-16-5-3-4-6-18(16)24-19/h3-12,14H,13H2,1-2H3,(H,22,26)(H,23,25)