4-[[4-[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(2,5-dimethylphenyl)-4-oxo-butanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[4-(2,5-dimethylphenyl)-1,4-dioxobutyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(2,5-dimethylphenyl)-4-keto-butanoyl]piperazino]methyl]benzonitrile Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H27N3O2/c1-18-3-4-19(2)22(15-18)23(28)9-10-24(29)27-13-11-26(12-14-27)17-21-7-5-20(16-25)6-8-21/h3-8,15H,9-14,17H2,1-2H3