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

Systemtic Name: 4-[[3-[(2-dimethylaminoethylamino)methyl]-2-ethyl-phenyl]amino]-6,7-diethoxy-quinoline-3-carboxamide Openeye Name: 4-[3-[(2-dimethylaminoethylamino)methyl]-2-ethyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide CAS Name: 4-[3-[(2-dimethylaminoethylamino)methyl]-2-ethylanilino]-6,7-diethoxy-3-quinolinecarboxamide IUPAC Name: 4-[3-[(2-dimethylaminoethylamino)methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide Traditional Name: 4-[3-[(2-dimethylaminoethylamino)methyl]-2-ethyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide Formula: C27H37N5O3 MolecularWeight: 479.61438

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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)CNCCN(C)C

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNCCN(C)C

InChI

InChI=1S/C27H37N5O3/c1-6-19-18(16-29-12-13-32(4)5)10-9-11-22(19)31-26-20-14-24(34-7-2)25(35-8-3)15-23(20)30-17-21(26)27(28)33/h9-11,14-15,17,29H,6-8,12-13,16H2,1-5H3,(H2,28,33)(H,30,31)