1-[2-[7-methoxy-3-(5-phenylpyridin-3-yl)indol-1-yl]ethyl]piperidine-4-carbonitrile

Systemtic Name: 1-[2-[7-methoxy-3-(5-phenylpyridin-3-yl)indol-1-yl]ethyl]piperidine-4-carbonitrile Openeye Name: 1-[2-[7-methoxy-3-(5-phenyl-3-pyridyl)indol-1-yl]ethyl]piperidine-4-carbonitrile CAS Name: 1-[2-[7-methoxy-3-(5-phenyl-3-pyridinyl)-1-indolyl]ethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-[7-methoxy-3-(5-phenylpyridin-3-yl)indol-1-yl]ethyl]piperidine-4-carbonitrile Traditional Name: 1-[2-[7-methoxy-3-(5-phenyl-3-pyridyl)indol-1-yl]ethyl]isonipecotonitrile Formula: C28H28N4O MolecularWeight: 436.54812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N(C=C2C3=CN=CC(=C3)C4=CC=CC=C4)CCN5CCC(CC5)C#N

Isomeric SMILES

COC1=CC=CC2=C1N(C=C2C3=CN=CC(=C3)C4=CC=CC=C4)CCN5CCC(CC5)C#N

InChI

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