6,7-diethoxy-4-[[2-ethyl-3-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]phenyl]amino]quinoline-3-carboxamide

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[[[4-(1-pyrazolyl)phenyl]methylamino]methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[[(4-pyrazol-1-ylbenzyl)amino]methyl]anilino]quinoline-3-carboxamide Formula: C33H36N6O3 MolecularWeight: 564.67734

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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)CNCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C33H36N6O3/c1-4-25-23(20-35-19-22-11-13-24(14-12-22)39-16-8-15-37-39)9-7-10-28(25)38-32-26-17-30(41-5-2)31(42-6-3)18-29(26)36-21-27(32)33(34)40/h7-18,21,35H,4-6,19-20H2,1-3H3,(H2,34,40)(H,36,38)