methyl 3-[4-[(7-chloranylquinolin-4-yl)amino]butyl]-4-cyclopentyl-5-phenyl-4H-imidazole-5-carboxylate

Systemtic Name: methyl 3-[4-[(7-chloranylquinolin-4-yl)amino]butyl]-4-cyclopentyl-5-phenyl-4H-imidazole-5-carboxylate Openeye Name: methyl 3-[4-[(7-chloro-4-quinolyl)amino]butyl]-4-cyclopentyl-5-phenyl-4H-imidazole-5-carboxylate CAS Name: 3-[4-[(7-chloro-4-quinolinyl)amino]butyl]-4-cyclopentyl-5-phenyl-4H-imidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-cyclopentyl-5-phenyl-4H-imidazole-5-carboxylate Traditional Name: 1-[4-[(7-chloro-4-quinolyl)amino]butyl]-5-cyclopentyl-4-phenyl-2-imidazoline-4-carboxylic acid methyl ester Formula: C29H28ClN4O2 MolecularWeight: 500.01122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(N(C=N1)CCCCNC2=C3C=CC(=CC3=NC=C2)Cl)[C]4[CH][CH][CH][CH]4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1(C(N(C=N1)CCCCNC2=C3C=CC(=CC3=NC=C2)Cl)[C]4[CH][CH][CH][CH]4)C5=CC=CC=C5

InChI

InChI=1S/C29H28ClN4O2/c1-36-28(35)29(22-11-3-2-4-12-22)27(21-9-5-6-10-21)34(20-33-29)18-8-7-16-31-25-15-17-32-26-19-23(30)13-14-24(25)26/h2-6,9-15,17,19-20,27H,7-8,16,18H2,1H3,(H,31,32)