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

Systemtic Name: 4-[[5-[[4-(3-chlorophenyl)-5-oxidanylidene-2-(phenylmethoxymethyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[2-(benzyloxymethyl)-4-(3-chlorophenyl)-5-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-(3-chlorophenyl)-5-oxo-2-(phenylmethoxymethyl)-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(3-chlorophenyl)-5-oxo-2-(phenylmethoxymethyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[2-(benzoxymethyl)-4-(3-chlorophenyl)-5-keto-piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C30H28ClN5O2 MolecularWeight: 526.02862

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC(=O)N1C2=CC(=CC=C2)Cl)CC3=CN=CN3CC4=CC=C(C=C4)C#N)COCC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC(=O)N1C2=CC(=CC=C2)Cl)CC3=CN=CN3CC4=CC=C(C=C4)C#N)COCC5=CC=CC=C5

InChI

InChI=1S/C30H28ClN5O2/c31-26-7-4-8-27(13-26)36-18-29(21-38-20-25-5-2-1-3-6-25)34(19-30(36)37)17-28-15-33-22-35(28)16-24-11-9-23(14-32)10-12-24/h1-13,15,22,29H,16-21H2