N5-(3H-benzimidazol-5-ylmethyl)-N2-(2,2-dimethyl-3H-1-benzofuran-7-yl)quinoline-2,5-diamine

Systemtic Name: N5-(3H-benzimidazol-5-ylmethyl)-N2-(2,2-dimethyl-3H-1-benzofuran-7-yl)quinoline-2,5-diamine Openeye Name: N5-(3H-benzimidazol-5-ylmethyl)-N2-(2,2-dimethyl-3H-benzofuran-7-yl)quinoline-2,5-diamine CAS Name: N5-(3H-benzimidazol-5-ylmethyl)-N2-(2,2-dimethyl-3H-benzofuran-7-yl)quinoline-2,5-diamine IUPAC Name: 5-N-(3H-benzimidazol-5-ylmethyl)-2-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)quinoline-2,5-diamine Traditional Name: 3H-benzimidazol-5-ylmethyl-[2-[(2,2-dimethylcoumaran-7-yl)amino]-5-quinolyl]amine Formula: C27H25N5O MolecularWeight: 435.5203

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)NC3=NC4=C(C=C3)C(=CC=C4)NCC5=CC6=C(C=C5)N=CN6)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)NC3=NC4=C(C=C3)C(=CC=C4)NCC5=CC6=C(C=C5)N=CN6)C

InChI

InChI=1S/C27H25N5O/c1-27(2)14-18-5-3-8-23(26(18)33-27)32-25-12-10-19-20(6-4-7-21(19)31-25)28-15-17-9-11-22-24(13-17)30-16-29-22/h3-13,16,28H,14-15H2,1-2H3,(H,29,30)(H,31,32)