1-[2-[3-[5-(4-methoxyphenyl)pyridin-3-yl]indol-1-yl]ethyl]piperidine-4-carbonitrile

Systemtic Name: 1-[2-[3-[5-(4-methoxyphenyl)pyridin-3-yl]indol-1-yl]ethyl]piperidine-4-carbonitrile Openeye Name: 1-[2-[3-[5-(4-methoxyphenyl)-3-pyridyl]indol-1-yl]ethyl]piperidine-4-carbonitrile CAS Name: 1-[2-[3-[5-(4-methoxyphenyl)-3-pyridinyl]-1-indolyl]ethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-[3-[5-(4-methoxyphenyl)pyridin-3-yl]indol-1-yl]ethyl]piperidine-4-carbonitrile Traditional Name: 1-[2-[3-[5-(4-methoxyphenyl)-3-pyridyl]indol-1-yl]ethyl]isonipecotonitrile Formula: C28H28N4O MolecularWeight: 436.54812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=CN=C2)C3=CN(C4=CC=CC=C43)CCN5CCC(CC5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=CN=C2)C3=CN(C4=CC=CC=C43)CCN5CCC(CC5)C#N

InChI

InChI=1S/C28H28N4O/c1-33-25-8-6-22(7-9-25)23-16-24(19-30-18-23)27-20-32(28-5-3-2-4-26(27)28)15-14-31-12-10-21(17-29)11-13-31/h2-9,16,18-21H,10-15H2,1H3