6,7-diethoxy-4-[[2-ethyl-3-[(pyridin-3-ylmethylamino)methyl]phenyl]amino]quinoline-3-carboxamide

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[(pyridin-3-ylmethylamino)methyl]phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-[(3-pyridylmethylamino)methyl]anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[(3-pyridinylmethylamino)methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[(pyridin-3-ylmethylamino)methyl]anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[(3-pyridylmethylamino)methyl]anilino]quinoline-3-carboxamide Formula: C29H33N5O3 MolecularWeight: 499.60402

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H33N5O3/c1-4-21-20(17-32-16-19-9-8-12-31-15-19)10-7-11-24(21)34-28-22-13-26(36-5-2)27(37-6-3)14-25(22)33-18-23(28)29(30)35/h7-15,18,32H,4-6,16-17H2,1-3H3,(H2,30,35)(H,33,34)