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

Systemtic Name: 4-[[4-(3-methoxy-4-phenylmethoxy-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-benzyloxy-3-methoxy-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-methoxy-4-phenylmethoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-benzoxy-3-methoxy-benzoyl)piperazino]methyl]benzonitrile Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c1-32-26-17-24(11-12-25(26)33-20-23-5-3-2-4-6-23)27(31)30-15-13-29(14-16-30)19-22-9-7-21(18-28)8-10-22/h2-12,17H,13-16,19-20H2,1H3