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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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