2-[4-(diphenylmethyl)piperazin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-[4-(diphenylmethyl)-1-piperazinyl]-6-(4-methoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-(4-benzhydrylpiperazino)-6-(4-methoxyphenyl)nicotinonitrile Formula: C30H28N4O MolecularWeight: 460.56952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H28N4O/c1-35-27-15-12-23(13-16-27)28-17-14-26(22-31)30(32-28)34-20-18-33(19-21-34)29(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-17,29H,18-21H2,1H3