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

Systemtic Name: 1-[2-[3-[5-(4-chlorophenyl)pyridin-3-yl]-7-methoxy-indol-1-yl]ethyl]piperidine-4-carbonitrile Openeye Name: 1-[2-[3-[5-(4-chlorophenyl)-3-pyridyl]-7-methoxy-indol-1-yl]ethyl]piperidine-4-carbonitrile CAS Name: 1-[2-[3-[5-(4-chlorophenyl)-3-pyridinyl]-7-methoxy-1-indolyl]ethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-[3-[5-(4-chlorophenyl)pyridin-3-yl]-7-methoxyindol-1-yl]ethyl]piperidine-4-carbonitrile Traditional Name: 1-[2-[3-[5-(4-chlorophenyl)-3-pyridyl]-7-methoxy-indol-1-yl]ethyl]isonipecotonitrile Formula: C28H27ClN4O MolecularWeight: 470.99318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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