5-(2,5-dimethylphenoxy)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-2,2-dimethyl-pentan-1-one

Systemtic Name: 5-(2,5-dimethylphenoxy)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-2,2-dimethyl-pentan-1-one Openeye Name: 5-(2,5-dimethylphenoxy)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-2,2-dimethyl-pentan-1-one CAS Name: 5-(2,5-dimethylphenoxy)-1-[4-(1H-indol-4-yl)-1-piperazinyl]-2,2-dimethyl-1-pentanone IUPAC Name: 5-(2,5-dimethylphenoxy)-1-[4-(1H-indol-4-yl)piperazin-1-yl]-2,2-dimethylpentan-1-one Traditional Name: 5-(2,5-dimethylphenoxy)-1-[4-(1H-indol-4-yl)piperazino]-2,2-dimethyl-pentan-1-one Formula: C27H35N3O2 MolecularWeight: 433.5857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)N2CCN(CC2)C3=CC=CC4=C3C=CN4

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)N2CCN(CC2)C3=CC=CC4=C3C=CN4

InChI

InChI=1S/C27H35N3O2/c1-20-9-10-21(2)25(19-20)32-18-6-12-27(3,4)26(31)30-16-14-29(15-17-30)24-8-5-7-23-22(24)11-13-28-23/h5,7-11,13,19,28H,6,12,14-18H2,1-4H3