7-chloranyl-3-[[(6-methyl-6-oxidanyl-heptan-2-yl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one

Systemtic Name: 7-chloranyl-3-[[(6-methyl-6-oxidanyl-heptan-2-yl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one Openeye Name: 7-chloro-3-[[(5-hydroxy-1,5-dimethyl-hexyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one CAS Name: 7-chloro-3-[[(6-hydroxy-6-methylheptan-2-yl)amino]methyl]-1-(2-phenoxyethyl)-2-quinolinone IUPAC Name: 7-chloro-3-[[(6-hydroxy-6-methylheptan-2-yl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one Traditional Name: 7-chloro-3-[[(5-hydroxy-1,5-dimethyl-hexyl)amino]methyl]-1-(2-phenoxyethyl)carbostyril Formula: C26H33ClN2O3 MolecularWeight: 457.00482

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)NCC1=CC2=C(C=C(C=C2)Cl)N(C1=O)CCOC3=CC=CC=C3

Isomeric SMILES

CC(CCCC(C)(C)O)NCC1=CC2=C(C=C(C=C2)Cl)N(C1=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C26H33ClN2O3/c1-19(8-7-13-26(2,3)31)28-18-21-16-20-11-12-22(27)17-24(20)29(25(21)30)14-15-32-23-9-5-4-6-10-23/h4-6,9-12,16-17,19,28,31H,7-8,13-15,18H2,1-3H3