4-[[4-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-chloro-5-ethoxy-4-propoxy-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-chloro-5-ethoxy-4-propoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-chloro-5-ethoxy-4-propoxy-benzoyl)piperazino]methyl]benzonitrile Formula: C24H28ClN3O3 MolecularWeight: 441.95042

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OCC

InChI

InChI=1S/C24H28ClN3O3/c1-3-13-31-23-21(25)14-20(15-22(23)30-4-2)24(29)28-11-9-27(10-12-28)17-19-7-5-18(16-26)6-8-19/h5-8,14-15H,3-4,9-13,17H2,1-2H3