1-[4-(phenylmethyl)piperazin-1-yl]-4-(2-pyridin-2-yl-1H-indol-3-yl)butan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-4-(2-pyridin-2-yl-1H-indol-3-yl)butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-4-[2-(2-pyridyl)-1H-indol-3-yl]butan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-4-[2-(2-pyridinyl)-1H-indol-3-yl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butan-1-one Traditional Name: 1-(4-benzylpiperazino)-4-[2-(2-pyridyl)-1H-indol-3-yl]butan-1-one Formula: C28H30N4O MolecularWeight: 438.564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCC3=C(NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCC3=C(NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C28H30N4O/c33-27(32-19-17-31(18-20-32)21-22-9-2-1-3-10-22)15-8-12-24-23-11-4-5-13-25(23)30-28(24)26-14-6-7-16-29-26/h1-7,9-11,13-14,16,30H,8,12,15,17-21H2