[1-cyclopropyl-8-ethynyl-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate; 2-methylpiperazine

Systemtic Name: [1-cyclopropyl-8-ethynyl-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate; 2-methylpiperazine Openeye Name: [1-cyclopropyl-8-ethynyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-3-quinolyl] hydrogen carbonate; 2-methylpiperazine CAS Name: carbonic acid [1-cyclopropyl-8-ethynyl-6-fluoro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinyl] ester; 2-methylpiperazine IUPAC Name: [1-cyclopropyl-8-ethynyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] hydrogen carbonate; 2-methylpiperazine Traditional Name: carbonic acid [1-cyclopropyl-8-ethynyl-6-fluoro-4-keto-7-(3-methylpiperazino)-3-quinolyl] ester; 2-methylpiperazine Formula: C25H32FN5O4 MolecularWeight: 485.551083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCN1.CC1CN(CCN1)C2=C(C=C3C(=C2C#C)N(C=C(C3=O)OC(=O)O)C4CC4)F

Isomeric SMILES

CC1CNCCN1.CC1CN(CCN1)C2=C(C=C3C(=C2C#C)N(C=C(C3=O)OC(=O)O)C4CC4)F

InChI

InChI=1S/C20H20FN3O4.C5H12N2/c1-3-13-17-14(8-15(21)18(13)23-7-6-22-11(2)9-23)19(25)16(28-20(26)27)10-24(17)12-4-5-12;1-5-4-6-2-3-7-5/h1,8,10-12,22H,4-7,9H2,2H3,(H,26,27);5-7H,2-4H2,1H3