4-[[4-(3,4-dimethoxy-5-prop-2-enyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3,4-dimethoxy-5-prop-2-enyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-allyl-4,5-dimethoxy-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3,4-dimethoxy-5-prop-2-enylphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3,4-dimethoxy-5-prop-2-enylbenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-allyl-4,5-dimethoxy-benzoyl)piperazino]methyl]benzonitrile Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)CC=C)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)CC=C)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H27N3O3/c1-4-5-20-14-21(15-22(29-2)23(20)30-3)24(28)27-12-10-26(11-13-27)17-19-8-6-18(16-25)7-9-19/h4,6-9,14-15H,1,5,10-13,17H2,2-3H3