N-[4-(3-methylbutanoylamino)phenyl]quinoline-2-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]quinoline-2-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]quinoline-2-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-quinolinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]quinoline-2-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]quinaldamide Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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