N-[(2,4-dimethoxyphenyl)methyl]-9-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-9-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-9-[4-[4-(2-quinolyl)piperazin-1-yl]butyl]fluorene-9-carboxamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-9-[4-[4-(2-quinolinyl)-1-piperazinyl]butyl]-9-fluorenecarboxamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-9-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide Traditional Name: N-(2,4-dimethoxybenzyl)-9-[4-[4-(2-quinolyl)piperazino]butyl]fluorene-9-carboxamide Formula: C40H42N4O3 MolecularWeight: 626.78648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)CCCCN5CCN(CC5)C6=NC7=CC=CC=C7C=C6)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)CCCCN5CCN(CC5)C6=NC7=CC=CC=C7C=C6)OC

InChI

InChI=1S/C40H42N4O3/c1-46-31-19-17-30(37(27-31)47-2)28-41-39(45)40(34-14-6-4-12-32(34)33-13-5-7-15-35(33)40)21-9-10-22-43-23-25-44(26-24-43)38-20-18-29-11-3-8-16-36(29)42-38/h3-8,11-20,27H,9-10,21-26,28H2,1-2H3,(H,41,45)