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

Systemtic Name: 1-[2-[5-chloranyl-3-[5-(3-methoxyphenyl)pyridin-3-yl]indol-1-yl]ethyl]piperidine-4-carbonitrile Openeye Name: 1-[2-[5-chloro-3-[5-(3-methoxyphenyl)-3-pyridyl]indol-1-yl]ethyl]piperidine-4-carbonitrile CAS Name: 1-[2-[5-chloro-3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-indolyl]ethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-[5-chloro-3-[5-(3-methoxyphenyl)pyridin-3-yl]indol-1-yl]ethyl]piperidine-4-carbonitrile Traditional Name: 1-[2-[5-chloro-3-[5-(3-methoxyphenyl)-3-pyridyl]indol-1-yl]ethyl]isonipecotonitrile Formula: C28H27ClN4O MolecularWeight: 470.99318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=CN=C2)C3=CN(C4=C3C=C(C=C4)Cl)CCN5CCC(CC5)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=CN=C2)C3=CN(C4=C3C=C(C=C4)Cl)CCN5CCC(CC5)C#N

InChI

InChI=1S/C28H27ClN4O/c1-34-25-4-2-3-21(14-25)22-13-23(18-31-17-22)27-19-33(28-6-5-24(29)15-26(27)28)12-11-32-9-7-20(16-30)8-10-32/h2-6,13-15,17-20H,7-12H2,1H3