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

Systemtic Name: 1-[2-[4-chloranyl-3-(5-thiophen-3-ylpyridin-3-yl)indol-1-yl]ethyl]piperidine-4-carbonitrile Openeye Name: 1-[2-[4-chloro-3-[5-(3-thienyl)-3-pyridyl]indol-1-yl]ethyl]piperidine-4-carbonitrile CAS Name: 1-[2-[4-chloro-3-[5-(3-thiophenyl)-3-pyridinyl]-1-indolyl]ethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-[4-chloro-3-(5-thiophen-3-ylpyridin-3-yl)indol-1-yl]ethyl]piperidine-4-carbonitrile Traditional Name: 1-[2-[4-chloro-3-[5-(3-thienyl)-3-pyridyl]indol-1-yl]ethyl]isonipecotonitrile Formula: C25H23ClN4S MolecularWeight: 446.99492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C#N)CCN2C=C(C3=C2C=CC=C3Cl)C4=CN=CC(=C4)C5=CSC=C5

Isomeric SMILES

C1CN(CCC1C#N)CCN2C=C(C3=C2C=CC=C3Cl)C4=CN=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C25H23ClN4S/c26-23-2-1-3-24-25(23)22(21-12-20(14-28-15-21)19-6-11-31-17-19)16-30(24)10-9-29-7-4-18(13-27)5-8-29/h1-3,6,11-12,14-18H,4-5,7-10H2