4-methoxy-3-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-methoxy-3-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]benzenecarbonitrile hydrochloride Openeye Name: 4-methoxy-3-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]benzonitrile hydrochloride CAS Name: 4-methoxy-3-[4-[(3-phenylphenyl)methyl]-1-piperazinyl]benzonitrile hydrochloride IUPAC Name: 4-methoxy-3-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]benzonitrile hydrochloride Traditional Name: 4-methoxy-3-[4-(3-phenylbenzyl)piperazino]benzonitrile hydrochloride Formula: C25H26ClN3O MolecularWeight: 419.94644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#N)N2CCN(CC2)CC3=CC=CC(=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C#N)N2CCN(CC2)CC3=CC=CC(=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H25N3O.ClH/c1-29-25-11-10-20(18-26)17-24(25)28-14-12-27(13-15-28)19-21-6-5-9-23(16-21)22-7-3-2-4-8-22;/h2-11,16-17H,12-15,19H2,1H3;1H