N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N'-(4-methyl-2-piperidin-1-yl-quinolin-6-yl)butanediamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N'-(4-methyl-2-piperidin-1-yl-quinolin-6-yl)butanediamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-N'-[4-methyl-2-(1-piperidyl)-6-quinolyl]butanediamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N'-[4-methyl-2-(1-piperidinyl)-6-quinolinyl]butanediamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-N'-(4-methyl-2-piperidino-6-quinolyl)succinamide Formula: C27H31BrN4O3 MolecularWeight: 539.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)NCC3=C(C=CC(=C3)Br)OC)N4CCCCC4

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)NCC3=C(C=CC(=C3)Br)OC)N4CCCCC4

InChI

InChI=1S/C27H31BrN4O3/c1-18-14-25(32-12-4-3-5-13-32)31-23-8-7-21(16-22(18)23)30-27(34)11-10-26(33)29-17-19-15-20(28)6-9-24(19)35-2/h6-9,14-16H,3-5,10-13,17H2,1-2H3,(H,29,33)(H,30,34)