N3-(1-benzofuran-2-ylmethyl)-N1-(6-methoxy-4-methyl-quinolin-2-yl)cyclohexane-1,3-diamine

Systemtic Name: N3-(1-benzofuran-2-ylmethyl)-N1-(6-methoxy-4-methyl-quinolin-2-yl)cyclohexane-1,3-diamine Openeye Name: N3-(benzofuran-2-ylmethyl)-N1-(6-methoxy-4-methyl-2-quinolyl)cyclohexane-1,3-diamine CAS Name: N3-(2-benzofuranylmethyl)-N1-(6-methoxy-4-methyl-2-quinolinyl)cyclohexane-1,3-diamine IUPAC Name: 3-N-(1-benzofuran-2-ylmethyl)-1-N-(6-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine Traditional Name: benzofuran-2-ylmethyl-[3-[(6-methoxy-4-methyl-2-quinolyl)amino]cyclohexyl]amine Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)OC)NC3CCCC(C3)NCC4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)OC)NC3CCCC(C3)NCC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H29N3O2/c1-17-12-26(29-24-11-10-21(30-2)15-23(17)24)28-20-8-5-7-19(14-20)27-16-22-13-18-6-3-4-9-25(18)31-22/h3-4,6,9-13,15,19-20,27H,5,7-8,14,16H2,1-2H3,(H,28,29)