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

Systemtic Name: 1-[2-[5-methoxy-3-(5-phenylpyridin-3-yl)indol-1-yl]ethyl]piperidine-4-carbonitrile Openeye Name: 1-[2-[5-methoxy-3-(5-phenyl-3-pyridyl)indol-1-yl]ethyl]piperidine-4-carbonitrile CAS Name: 1-[2-[5-methoxy-3-(5-phenyl-3-pyridinyl)-1-indolyl]ethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-[5-methoxy-3-(5-phenylpyridin-3-yl)indol-1-yl]ethyl]piperidine-4-carbonitrile Traditional Name: 1-[2-[5-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=CC2=C(C=C1)N(C=C2C3=CN=CC(=C3)C4=CC=CC=C4)CCN5CCC(CC5)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C3=CN=CC(=C3)C4=CC=CC=C4)CCN5CCC(CC5)C#N

InChI

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