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

Systemtic Name: 4-[[4-[3-[(3-methylphenyl)methoxy]phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(m-tolylmethoxy)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[3-[(3-methylphenyl)methoxy]phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(3-methylbenzyl)oxybenzoyl]piperazino]methyl]benzonitrile Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H27N3O2/c1-21-4-2-5-24(16-21)20-32-26-7-3-6-25(17-26)27(31)30-14-12-29(13-15-30)19-23-10-8-22(18-28)9-11-23/h2-11,16-17H,12-15,19-20H2,1H3