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

Systemtic Name: 1-[2-[3-[5-(3-chlorophenyl)pyridin-3-yl]-5-methoxy-indol-1-yl]ethyl]piperidine-4-carbonitrile Openeye Name: 1-[2-[3-[5-(3-chlorophenyl)-3-pyridyl]-5-methoxy-indol-1-yl]ethyl]piperidine-4-carbonitrile CAS Name: 1-[2-[3-[5-(3-chlorophenyl)-3-pyridinyl]-5-methoxy-1-indolyl]ethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-[3-[5-(3-chlorophenyl)pyridin-3-yl]-5-methoxyindol-1-yl]ethyl]piperidine-4-carbonitrile Traditional Name: 1-[2-[3-[5-(3-chlorophenyl)-3-pyridyl]-5-methoxy-indol-1-yl]ethyl]isonipecotonitrile Formula: C28H27ClN4O MolecularWeight: 470.99318

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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)Cl)CCN5CCC(CC5)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN4O/c1-34-25-5-6-28-26(15-25)27(19-33(28)12-11-32-9-7-20(16-30)8-10-32)23-13-22(17-31-18-23)21-3-2-4-24(29)14-21/h2-6,13-15,17-20H,7-12H2,1H3