4-[[3-[[4-(5-cyanopyridin-2-yl)piperazin-1-yl]methyl]-2-ethyl-phenyl]amino]-6,7-diethoxy-quinoline-3-carboxamide

Systemtic Name: 4-[[3-[[4-(5-cyanopyridin-2-yl)piperazin-1-yl]methyl]-2-ethyl-phenyl]amino]-6,7-diethoxy-quinoline-3-carboxamide Openeye Name: 4-[3-[[4-(5-cyano-2-pyridyl)piperazin-1-yl]methyl]-2-ethyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide CAS Name: 4-[3-[[4-(5-cyano-2-pyridinyl)-1-piperazinyl]methyl]-2-ethylanilino]-6,7-diethoxy-3-quinolinecarboxamide IUPAC Name: 4-[3-[[4-(5-cyanopyridin-2-yl)piperazin-1-yl]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide Traditional Name: 4-[3-[[4-(5-cyano-2-pyridyl)piperazino]methyl]-2-ethyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide Formula: C33H37N7O3 MolecularWeight: 579.69198

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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)C5=NC=C(C=C5)C#N

Isomeric SMILES

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

InChI

InChI=1S/C33H37N7O3/c1-4-24-23(21-39-12-14-40(15-13-39)31-11-10-22(18-34)19-37-31)8-7-9-27(24)38-32-25-16-29(42-5-2)30(43-6-3)17-28(25)36-20-26(32)33(35)41/h7-11,16-17,19-20H,4-6,12-15,21H2,1-3H3,(H2,35,41)(H,36,38)