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

Systemtic Name: 4-[[3-[(2-cyanoethylamino)methyl]-2-ethyl-phenyl]amino]-6,7-diethoxy-quinoline-3-carboxamide Openeye Name: 4-[3-[(2-cyanoethylamino)methyl]-2-ethyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide CAS Name: 4-[3-[(2-cyanoethylamino)methyl]-2-ethylanilino]-6,7-diethoxy-3-quinolinecarboxamide IUPAC Name: 4-[3-[(2-cyanoethylamino)methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide Traditional Name: 4-[3-[(2-cyanoethylamino)methyl]-2-ethyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide Formula: C26H31N5O3 MolecularWeight: 461.55604

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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)CNCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O3/c1-4-18-17(15-29-12-8-11-27)9-7-10-21(18)31-25-19-13-23(33-5-2)24(34-6-3)14-22(19)30-16-20(25)26(28)32/h7,9-10,13-14,16,29H,4-6,8,12,15H2,1-3H3,(H2,28,32)(H,30,31)