4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butan-1-one CAS Name: 4-[5-chloro-2-(2-pyridinyl)-1H-indol-3-yl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one Traditional Name: 1-(4-benzylpiperazino)-4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butan-1-one Formula: C28H29ClN4O MolecularWeight: 473.00906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCC3=C(NC4=C3C=C(C=C4)Cl)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCC3=C(NC4=C3C=C(C=C4)Cl)C5=CC=CC=N5

InChI

InChI=1S/C28H29ClN4O/c29-22-12-13-25-24(19-22)23(28(31-25)26-10-4-5-14-30-26)9-6-11-27(34)33-17-15-32(16-18-33)20-21-7-2-1-3-8-21/h1-5,7-8,10,12-14,19,31H,6,9,11,15-18,20H2