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

Systemtic Name: 4-[[4-[4-oxidanylidene-4-(4-propoxyphenyl)butanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-oxo-4-(4-propoxyphenyl)butanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1,4-dioxo-4-(4-propoxyphenyl)butyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-oxo-4-(4-propoxyphenyl)butanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-keto-4-(4-propoxyphenyl)butanoyl]piperazino]methyl]benzonitrile Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H29N3O3/c1-2-17-31-23-9-7-22(8-10-23)24(29)11-12-25(30)28-15-13-27(14-16-28)19-21-5-3-20(18-26)4-6-21/h3-10H,2,11-17,19H2,1H3