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

Systemtic Name: 4-[2-(1H-imidazol-5-yl)-2-(3-oxidanylidene-4-phenyl-piperazin-1-yl)propyl]benzenecarbonitrile Openeye Name: 4-[2-(1H-imidazol-5-yl)-2-(3-oxo-4-phenyl-piperazin-1-yl)propyl]benzonitrile CAS Name: 4-[2-(1H-imidazol-5-yl)-2-(3-oxo-4-phenyl-1-piperazinyl)propyl]benzonitrile IUPAC Name: 4-[2-(1H-imidazol-5-yl)-2-(3-oxo-4-phenylpiperazin-1-yl)propyl]benzonitrile Traditional Name: 4-[2-(1H-imidazol-5-yl)-2-(3-keto-4-phenyl-piperazino)propyl]benzonitrile Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C#N)(C2=CN=CN2)N3CCN(C(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CC(CC1=CC=C(C=C1)C#N)(C2=CN=CN2)N3CCN(C(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O/c1-23(21-15-25-17-26-21,13-18-7-9-19(14-24)10-8-18)27-11-12-28(22(29)16-27)20-5-3-2-4-6-20/h2-10,15,17H,11-13,16H2,1H3,(H,25,26)