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

Systemtic Name: 4-[1-[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]-1-(1H-imidazol-5-yl)propan-2-yl]benzenecarbonitrile Openeye Name: 4-[2-[4-(3-chlorophenyl)-3-oxo-piperazin-1-yl]-2-(1H-imidazol-5-yl)-1-methyl-ethyl]benzonitrile CAS Name: 4-[1-[4-(3-chlorophenyl)-3-oxo-1-piperazinyl]-1-(1H-imidazol-5-yl)propan-2-yl]benzonitrile IUPAC Name: 4-[1-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]-1-(1H-imidazol-5-yl)propan-2-yl]benzonitrile Traditional Name: 4-[2-[4-(3-chlorophenyl)-3-keto-piperazino]-2-(1H-imidazol-5-yl)-1-methyl-ethyl]benzonitrile Formula: C23H22ClN5O MolecularWeight: 419.90668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)C(C2=CN=CN2)N3CCN(C(=O)C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)C(C2=CN=CN2)N3CCN(C(=O)C3)C4=CC(=CC=C4)Cl

InChI

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