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

Systemtic Name: 1-[2-[7-methoxy-3-(5-thiophen-3-ylpyridin-3-yl)indol-1-yl]ethyl]piperidine-4-carbonitrile Openeye Name: 1-[2-[7-methoxy-3-[5-(3-thienyl)-3-pyridyl]indol-1-yl]ethyl]piperidine-4-carbonitrile CAS Name: 1-[2-[7-methoxy-3-[5-(3-thiophenyl)-3-pyridinyl]-1-indolyl]ethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-[7-methoxy-3-(5-thiophen-3-ylpyridin-3-yl)indol-1-yl]ethyl]piperidine-4-carbonitrile Traditional Name: 1-[2-[7-methoxy-3-[5-(3-thienyl)-3-pyridyl]indol-1-yl]ethyl]isonipecotonitrile Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4OS/c1-31-25-4-2-3-23-24(22-13-21(15-28-16-22)20-7-12-32-18-20)17-30(26(23)25)11-10-29-8-5-19(14-27)6-9-29/h2-4,7,12-13,15-19H,5-6,8-11H2,1H3