4-[[4-[4-(4-ethylphenyl)-4-oxidanylidene-butanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

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