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

Systemtic Name: 6-chloranyl-2-methyl-N-[4-(3-methylbutanoylamino)phenyl]quinoline-3-carboxamide Openeye Name: 6-chloro-2-methyl-N-[4-(3-methylbutanoylamino)phenyl]quinoline-3-carboxamide CAS Name: 6-chloro-2-methyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-3-quinolinecarboxamide IUPAC Name: 6-chloro-2-methyl-N-[4-(3-methylbutanoylamino)phenyl]quinoline-3-carboxamide Traditional Name: 6-chloro-N-[4-(isovalerylamino)phenyl]-2-methyl-quinoline-3-carboxamide Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C22H22ClN3O2/c1-13(2)10-21(27)25-17-5-7-18(8-6-17)26-22(28)19-12-15-11-16(23)4-9-20(15)24-14(19)3/h4-9,11-13H,10H2,1-3H3,(H,25,27)(H,26,28)