N5-(1H-indol-4-ylmethyl)-N2-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)quinoline-2,5-diamine

Systemtic Name: N5-(1H-indol-4-ylmethyl)-N2-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)quinoline-2,5-diamine Openeye Name: N5-(1H-indol-4-ylmethyl)-N2-(2-methyl-2,3-dihydrobenzofuran-7-yl)quinoline-2,5-diamine CAS Name: N5-(1H-indol-4-ylmethyl)-N2-(2-methyl-2,3-dihydrobenzofuran-7-yl)quinoline-2,5-diamine IUPAC Name: 5-N-(1H-indol-4-ylmethyl)-2-N-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)quinoline-2,5-diamine Traditional Name: 1H-indol-4-ylmethyl-[2-[(2-methylcoumaran-7-yl)amino]-5-quinolyl]amine Formula: C27H24N4O MolecularWeight: 420.50566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C(=CC=C2)NC3=NC4=C(C=C3)C(=CC=C4)NCC5=C6C=CNC6=CC=C5

Isomeric SMILES

CC1CC2=C(O1)C(=CC=C2)NC3=NC4=C(C=C3)C(=CC=C4)NCC5=C6C=CNC6=CC=C5

InChI

InChI=1S/C27H24N4O/c1-17-15-18-5-2-10-25(27(18)32-17)31-26-12-11-21-23(8-4-9-24(21)30-26)29-16-19-6-3-7-22-20(19)13-14-28-22/h2-14,17,28-29H,15-16H2,1H3,(H,30,31)