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

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-[[4-(1-piperidyl)-1-piperidyl]methyl]anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[[4-(1-piperidinyl)-1-piperidinyl]methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[(4-piperidinopiperidino)methyl]anilino]quinoline-3-carboxamide Formula: C33H45N5O3 MolecularWeight: 559.7421

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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)CN4CCC(CC4)N5CCCCC5

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CN4CCC(CC4)N5CCCCC5

InChI

InChI=1S/C33H45N5O3/c1-4-25-23(22-37-17-13-24(14-18-37)38-15-8-7-9-16-38)11-10-12-28(25)36-32-26-19-30(40-5-2)31(41-6-3)20-29(26)35-21-27(32)33(34)39/h10-12,19-21,24H,4-9,13-18,22H2,1-3H3,(H2,34,39)(H,35,36)