3-[1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 3-[1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 3-[3-(4-benzylpiperazin-1-yl)-1-phenyl-propoxy]benzonitrile CAS Name: 3-[1-phenyl-3-[4-(phenylmethyl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 3-[3-(4-benzylpiperazin-1-yl)-1-phenylpropoxy]benzonitrile Traditional Name: 3-[3-(4-benzylpiperazino)-1-phenyl-propoxy]benzonitrile Formula: C27H29N3O MolecularWeight: 411.53866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)OC3=CC=CC(=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)OC3=CC=CC(=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O/c28-21-24-10-7-13-26(20-24)31-27(25-11-5-2-6-12-25)14-15-29-16-18-30(19-17-29)22-23-8-3-1-4-9-23/h1-13,20,27H,14-19,22H2