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

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[[4-(4-pyridylmethyl)piperazino]methyl]anilino]quinoline-3-carboxamide Formula: C33H40N6O3 MolecularWeight: 568.7091

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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)CN4CCN(CC4)CC5=CC=NC=C5

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CN4CCN(CC4)CC5=CC=NC=C5

InChI

InChI=1S/C33H40N6O3/c1-4-25-24(22-39-16-14-38(15-17-39)21-23-10-12-35-13-11-23)8-7-9-28(25)37-32-26-18-30(41-5-2)31(42-6-3)19-29(26)36-20-27(32)33(34)40/h7-13,18-20H,4-6,14-17,21-22H2,1-3H3,(H2,34,40)(H,36,37)