4-[[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-1-(3-methoxyphenyl)ethoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-1-(3-methoxyphenyl)ethoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy]methyl]benzonitrile CAS Name: 4-[[2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-1-(3-methoxyphenyl)ethoxy]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy]methyl]benzonitrile Traditional Name: 4-[[2-[4-(4-cyanobenzoyl)piperazino]-1-(3-methoxyphenyl)ethoxy]methyl]benzonitrile Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H28N4O3/c1-35-27-4-2-3-26(17-27)28(36-21-24-7-5-22(18-30)6-8-24)20-32-13-15-33(16-14-32)29(34)25-11-9-23(19-31)10-12-25/h2-12,17,28H,13-16,20-21H2,1H3