4-[2-(3-butylimidazol-4-yl)-2-[4-(2,3-dimethylphenyl)-3-oxidanylidene-piperazin-1-yl]ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-(3-butylimidazol-4-yl)-2-[4-(2,3-dimethylphenyl)-3-oxidanylidene-piperazin-1-yl]ethyl]benzenecarbonitrile Openeye Name: 4-[2-(3-butylimidazol-4-yl)-2-[4-(2,3-dimethylphenyl)-3-oxo-piperazin-1-yl]ethyl]benzonitrile CAS Name: 4-[2-(3-butyl-4-imidazolyl)-2-[4-(2,3-dimethylphenyl)-3-oxo-1-piperazinyl]ethyl]benzonitrile IUPAC Name: 4-[2-(3-butylimidazol-4-yl)-2-[4-(2,3-dimethylphenyl)-3-oxopiperazin-1-yl]ethyl]benzonitrile Traditional Name: 4-[2-(3-butylimidazol-4-yl)-2-[4-(2,3-dimethylphenyl)-3-keto-piperazino]ethyl]benzonitrile Formula: C28H33N5O MolecularWeight: 455.59452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC=C1C(CC2=CC=C(C=C2)C#N)N3CCN(C(=O)C3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCCCN1C=NC=C1C(CC2=CC=C(C=C2)C#N)N3CCN(C(=O)C3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C28H33N5O/c1-4-5-13-32-20-30-18-27(32)26(16-23-9-11-24(17-29)12-10-23)31-14-15-33(28(34)19-31)25-8-6-7-21(2)22(25)3/h6-12,18,20,26H,4-5,13-16,19H2,1-3H3