4-[[4-(4-ethoxy-3-methoxy-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-ethoxy-3-methoxy-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-ethoxy-3-methoxy-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-ethoxy-3-methoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-ethoxy-3-methoxy-benzoyl)piperazino]methyl]benzonitrile Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C22H25N3O3/c1-3-28-20-9-8-19(14-21(20)27-2)22(26)25-12-10-24(11-13-25)16-18-6-4-17(15-23)5-7-18/h4-9,14H,3,10-13,16H2,1-2H3