6,7-diethoxy-4-[[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]phenyl]amino]quinoline-3-carboxamide

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[[3-(1-imidazolyl)propylamino]methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[(3-imidazol-1-ylpropylamino)methyl]anilino]quinoline-3-carboxamide Formula: C29H36N6O3 MolecularWeight: 516.63454

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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)CNCCCN4C=CN=C4

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNCCCN4C=CN=C4

InChI

InChI=1S/C29H36N6O3/c1-4-21-20(17-31-11-8-13-35-14-12-32-19-35)9-7-10-24(21)34-28-22-15-26(37-5-2)27(38-6-3)16-25(22)33-18-23(28)29(30)36/h7,9-10,12,14-16,18-19,31H,4-6,8,11,13,17H2,1-3H3,(H2,30,36)(H,33,34)