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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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