6-(3-imidazol-1-ylpropylamino)-7-methoxy-4-[(2-methylphenyl)methyl]quinoline-3-carboxamide

Systemtic Name: 6-(3-imidazol-1-ylpropylamino)-7-methoxy-4-[(2-methylphenyl)methyl]quinoline-3-carboxamide Openeye Name: 6-(3-imidazol-1-ylpropylamino)-7-methoxy-4-(o-tolylmethyl)quinoline-3-carboxamide CAS Name: 6-[3-(1-imidazolyl)propylamino]-7-methoxy-4-[(2-methylphenyl)methyl]-3-quinolinecarboxamide IUPAC Name: 6-(3-imidazol-1-ylpropylamino)-7-methoxy-4-[(2-methylphenyl)methyl]quinoline-3-carboxamide Traditional Name: 6-(3-imidazol-1-ylpropylamino)-7-methoxy-4-(2-methylbenzyl)quinoline-3-carboxamide Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=C(C=NC3=CC(=C(C=C32)NCCCN4C=CN=C4)OC)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1CC2=C(C=NC3=CC(=C(C=C32)NCCCN4C=CN=C4)OC)C(=O)N

InChI

InChI=1S/C25H27N5O2/c1-17-6-3-4-7-18(17)12-19-20-13-23(28-8-5-10-30-11-9-27-16-30)24(32-2)14-22(20)29-15-21(19)25(26)31/h3-4,6-7,9,11,13-16,28H,5,8,10,12H2,1-2H3,(H2,26,31)