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

Systemtic Name: N2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N5-(pyridin-3-ylmethyl)quinoline-2,5-diamine Openeye Name: N2-(2,2-dimethyl-3H-benzofuran-7-yl)-N5-(3-pyridylmethyl)quinoline-2,5-diamine CAS Name: N2-(2,2-dimethyl-3H-benzofuran-7-yl)-N5-(3-pyridinylmethyl)quinoline-2,5-diamine IUPAC Name: 2-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine Traditional Name: (2,2-dimethylcoumaran-7-yl)-[5-(3-pyridylmethylamino)-2-quinolyl]amine Formula: C25H24N4O MolecularWeight: 396.48426

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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=CN=CC=C5)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)NC3=NC4=C(C=C3)C(=CC=C4)NCC5=CN=CC=C5)C

InChI

InChI=1S/C25H24N4O/c1-25(2)14-18-7-3-10-22(24(18)30-25)29-23-12-11-19-20(8-4-9-21(19)28-23)27-16-17-6-5-13-26-15-17/h3-13,15,27H,14,16H2,1-2H3,(H,28,29)