3-[(4-phenylmethoxyphenyl)-piperazin-1-yl-methyl]quinoline

Systemtic Name: 3-[(4-phenylmethoxyphenyl)-piperazin-1-yl-methyl]quinoline Openeye Name: 3-[(4-benzyloxyphenyl)-piperazin-1-yl-methyl]quinoline CAS Name: 3-[(4-phenylmethoxyphenyl)-(1-piperazinyl)methyl]quinoline IUPAC Name: 3-[(4-phenylmethoxyphenyl)-piperazin-1-ylmethyl]quinoline Traditional Name: 3-[(4-benzoxyphenyl)-piperazino-methyl]quinoline Formula: C27H27N3O MolecularWeight: 409.52278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(CCN1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C27H27N3O/c1-2-6-21(7-3-1)20-31-25-12-10-22(11-13-25)27(30-16-14-28-15-17-30)24-18-23-8-4-5-9-26(23)29-19-24/h1-13,18-19,27-28H,14-17,20H2