6,7-diethoxy-4-[[2-ethyl-3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]amino]quinoline-3-carboxamide

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[[3-(4-methyl-1-piperazinyl)propylamino]methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[[3-(4-methylpiperazino)propylamino]methyl]anilino]quinoline-3-carboxamide Formula: C31H44N6O3 MolecularWeight: 548.71946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNCCCN4CCN(CC4)C

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNCCCN4CCN(CC4)C

InChI

InChI=1S/C31H44N6O3/c1-5-23-22(20-33-12-9-13-37-16-14-36(4)15-17-37)10-8-11-26(23)35-30-24-18-28(39-6-2)29(40-7-3)19-27(24)34-21-25(30)31(32)38/h8,10-11,18-19,21,33H,5-7,9,12-17,20H2,1-4H3,(H2,32,38)(H,34,35)