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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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