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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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