6-[2-[3-methyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenoxy]-1-(4-methylpiperazin-1-yl)hexan-1-one

Systemtic Name: 6-[2-[3-methyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenoxy]-1-(4-methylpiperazin-1-yl)hexan-1-one Openeye Name: 6-[2-[3-methyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenoxy]-1-(4-methylpiperazin-1-yl)hexan-1-one CAS Name: 6-[2-[3-methyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenoxy]-1-(4-methyl-1-piperazinyl)-1-hexanone IUPAC Name: 6-[2-[3-methyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenoxy]-1-(4-methylpiperazin-1-yl)hexan-1-one Traditional Name: 6-[2-[3-methyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenoxy]-1-(4-methylpiperazino)hexan-1-one Formula: C32H37N5O2 MolecularWeight: 523.66848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2OCCCCCC(=O)N3CCN(CC3)C)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2OCCCCCC(=O)N3CCN(CC3)C)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H37N5O2/c1-25-33-34-32(28-18-16-27(17-19-28)26-11-5-3-6-12-26)37(25)29-13-8-9-14-30(29)39-24-10-4-7-15-31(38)36-22-20-35(2)21-23-36/h3,5-6,8-9,11-14,16-19H,4,7,10,15,20-24H2,1-2H3