1-[2-[3-[5-(3-chlorophenyl)pyridin-3-yl]indol-1-yl]ethyl]piperidine-4-carbonitrile

Systemtic Name: 1-[2-[3-[5-(3-chlorophenyl)pyridin-3-yl]indol-1-yl]ethyl]piperidine-4-carbonitrile Openeye Name: 1-[2-[3-[5-(3-chlorophenyl)-3-pyridyl]indol-1-yl]ethyl]piperidine-4-carbonitrile CAS Name: 1-[2-[3-[5-(3-chlorophenyl)-3-pyridinyl]-1-indolyl]ethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-[3-[5-(3-chlorophenyl)pyridin-3-yl]indol-1-yl]ethyl]piperidine-4-carbonitrile Traditional Name: 1-[2-[3-[5-(3-chlorophenyl)-3-pyridyl]indol-1-yl]ethyl]isonipecotonitrile Formula: C27H25ClN4 MolecularWeight: 440.9672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C#N)CCN2C=C(C3=CC=CC=C32)C4=CN=CC(=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCC1C#N)CCN2C=C(C3=CC=CC=C32)C4=CN=CC(=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H25ClN4/c28-24-5-3-4-21(15-24)22-14-23(18-30-17-22)26-19-32(27-7-2-1-6-25(26)27)13-12-31-10-8-20(16-29)9-11-31/h1-7,14-15,17-20H,8-13H2