4-methyl-3-[7-(4-methylpiperazin-1-yl)-1-oxidanylidene-isoquinolin-2-yl]-N-(1,2-oxazol-3-yl)benzamide

Systemtic Name: 4-methyl-3-[7-(4-methylpiperazin-1-yl)-1-oxidanylidene-isoquinolin-2-yl]-N-(1,2-oxazol-3-yl)benzamide Openeye Name: N-isoxazol-3-yl-4-methyl-3-[7-(4-methylpiperazin-1-yl)-1-oxo-2-isoquinolyl]benzamide CAS Name: N-(3-isoxazolyl)-4-methyl-3-[7-(4-methyl-1-piperazinyl)-1-oxo-2-isoquinolinyl]benzamide IUPAC Name: 4-methyl-3-[7-(4-methylpiperazin-1-yl)-1-oxoisoquinolin-2-yl]-N-(1,2-oxazol-3-yl)benzamide Traditional Name: N-isoxazol-3-yl-3-[1-keto-7-(4-methylpiperazino)-2-isoquinolyl]-4-methyl-benzamide Formula: C25H25N5O3 MolecularWeight: 443.4977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NOC=C2)N3C=CC4=C(C3=O)C=C(C=C4)N5CCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NOC=C2)N3C=CC4=C(C3=O)C=C(C=C4)N5CCN(CC5)C

InChI

InChI=1S/C25H25N5O3/c1-17-3-4-19(24(31)26-23-8-14-33-27-23)15-22(17)30-9-7-18-5-6-20(16-21(18)25(30)32)29-12-10-28(2)11-13-29/h3-9,14-16H,10-13H2,1-2H3,(H,26,27,31)