6-methoxy-2-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]quinoline-3-carboxamide

Systemtic Name: 6-methoxy-2-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]quinoline-3-carboxamide Openeye Name: 6-methoxy-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]quinoline-3-carboxamide CAS Name: 6-methoxy-2-methyl-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-quinolinecarboxamide IUPAC Name: 6-methoxy-2-methyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]quinoline-3-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-6-methoxy-2-methyl-quinoline-3-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C21H21N5O3/c1-13-17(10-14-9-16(29-2)4-5-18(14)24-13)21(28)25-15-3-6-19(23-11-15)26-8-7-22-20(27)12-26/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,27)(H,25,28)