1-[1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[1-[(4-chlorophenyl)methyl]-5-(2-quinolylmethoxy)indol-3-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[1-[(4-chlorophenyl)methyl]-5-(2-quinolinylmethoxy)-3-indolyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[1-(4-chlorobenzyl)-5-(2-quinolylmethoxy)indol-3-yl]-3,3-dimethyl-butan-1-one Formula: C31H29ClN2O2 MolecularWeight: 497.02716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)C1=CN(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C)(C)CC(=O)C1=CN(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H29ClN2O2/c1-31(2,3)17-30(35)27-19-34(18-21-8-11-23(32)12-9-21)29-15-14-25(16-26(27)29)36-20-24-13-10-22-6-4-5-7-28(22)33-24/h4-16,19H,17-18,20H2,1-3H3