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

Systemtic Name: 6,7-diethoxy-4-[[3-(imidazol-1-ylmethyl)-2-methyl-phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[3-(imidazol-1-ylmethyl)-2-methyl-anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[3-(1-imidazolylmethyl)-2-methylanilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[3-(imidazol-1-ylmethyl)-2-methylanilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[3-(imidazol-1-ylmethyl)-2-methyl-anilino]quinoline-3-carboxamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C(=O)N)NC3=CC=CC(=C3C)CN4C=CN=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C(=O)N)NC3=CC=CC(=C3C)CN4C=CN=C4)OCC

InChI

InChI=1S/C25H27N5O3/c1-4-32-22-11-18-21(12-23(22)33-5-2)28-13-19(25(26)31)24(18)29-20-8-6-7-17(16(20)3)14-30-10-9-27-15-30/h6-13,15H,4-5,14H2,1-3H3,(H2,26,31)(H,28,29)