4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one Openeye Name: 4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]-1-(4-phenylpiperazin-1-yl)butan-1-one CAS Name: 4-[5-chloro-2-(2-pyridinyl)-1H-indol-3-yl]-1-(4-phenyl-1-piperazinyl)-1-butanone IUPAC Name: 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one Traditional Name: 4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]-1-(4-phenylpiperazino)butan-1-one Formula: C27H27ClN4O MolecularWeight: 458.98248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCC3=C(NC4=C3C=C(C=C4)Cl)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCC3=C(NC4=C3C=C(C=C4)Cl)C5=CC=CC=N5

InChI

InChI=1S/C27H27ClN4O/c28-20-12-13-24-23(19-20)22(27(30-24)25-10-4-5-14-29-25)9-6-11-26(33)32-17-15-31(16-18-32)21-7-2-1-3-8-21/h1-5,7-8,10,12-14,19,30H,6,9,11,15-18H2