4-[[5-[[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-pyridin-3-yloxy-benzenecarbonitrile

Systemtic Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-pyridin-3-yloxy-benzenecarbonitrile Openeye Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-(3-pyridyloxy)benzonitrile CAS Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxo-1-piperazinyl]methyl]-1-imidazolyl]methyl]-2-(3-pyridinyloxy)benzonitrile IUPAC Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-pyridin-3-yloxybenzonitrile Traditional Name: 4-[[5-[[4-(3-chlorophenyl)-3-keto-piperazino]methyl]imidazol-1-yl]methyl]-2-(3-pyridyloxy)benzonitrile Formula: C27H23ClN6O2 MolecularWeight: 498.96352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC2=CN=CN2CC3=CC(=C(C=C3)C#N)OC4=CN=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(C(=O)CN1CC2=CN=CN2CC3=CC(=C(C=C3)C#N)OC4=CN=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H23ClN6O2/c28-22-3-1-4-23(12-22)34-10-9-32(18-27(34)35)17-24-14-31-19-33(24)16-20-6-7-21(13-29)26(11-20)36-25-5-2-8-30-15-25/h1-8,11-12,14-15,19H,9-10,16-18H2