4-[[4-[[4-(3-chloranyl-2-methyl-phenyl)-3-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[[4-(3-chloranyl-2-methyl-phenyl)-3-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[[4-(3-chloro-2-methyl-phenyl)-3-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-(3-chloro-2-methylphenyl)-3-oxo-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[4-[[4-(3-chloro-2-methylphenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[[4-(3-chloro-2-methyl-phenyl)-3-keto-piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C23H22ClN5O MolecularWeight: 419.90668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2CCN(CC2=O)CC3=CN(C=N3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2CCN(CC2=O)CC3=CN(C=N3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H22ClN5O/c1-17-21(24)3-2-4-22(17)29-10-9-27(15-23(29)30)13-20-14-28(16-26-20)12-19-7-5-18(11-25)6-8-19/h2-8,14,16H,9-10,12-13,15H2,1H3