[2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]-phenyl-methanone

Systemtic Name: [2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]-phenyl-methanone Openeye Name: [2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]-phenyl-methanone CAS Name: [2-[3-[4-(3,4-dimethylphenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-phenylmethanone IUPAC Name: [2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone Traditional Name: [2-[3-[4-(3,4-dimethylphenyl)piperazino]-2-hydroxy-propoxy]phenyl]-phenyl-methanone Formula: C28H32N2O3 MolecularWeight: 444.56528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3C(=O)C4=CC=CC=C4)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3C(=O)C4=CC=CC=C4)O)C

InChI

InChI=1S/C28H32N2O3/c1-21-12-13-24(18-22(21)2)30-16-14-29(15-17-30)19-25(31)20-33-27-11-7-6-10-26(27)28(32)23-8-4-3-5-9-23/h3-13,18,25,31H,14-17,19-20H2,1-2H3