3-[1-[1-(2,4-dimethoxyphenyl)piperidin-4-yl]piperidin-4-yl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[1-[1-(2,4-dimethoxyphenyl)piperidin-4-yl]piperidin-4-yl]-1H-indole-5-carbonitrile Openeye Name: 3-[1-[1-(2,4-dimethoxyphenyl)-4-piperidyl]-4-piperidyl]-1H-indole-5-carbonitrile CAS Name: 3-[1-[1-(2,4-dimethoxyphenyl)-4-piperidinyl]-4-piperidinyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[1-[1-(2,4-dimethoxyphenyl)piperidin-4-yl]piperidin-4-yl]-1H-indole-5-carbonitrile Traditional Name: 3-[1-[1-(2,4-dimethoxyphenyl)-4-piperidyl]-4-piperidyl]-1H-indole-5-carbonitrile Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCC(CC2)N3CCC(CC3)C4=CNC5=C4C=C(C=C5)C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCC(CC2)N3CCC(CC3)C4=CNC5=C4C=C(C=C5)C#N)OC

InChI

InChI=1S/C27H32N4O2/c1-32-22-4-6-26(27(16-22)33-2)31-13-9-21(10-14-31)30-11-7-20(8-12-30)24-18-29-25-5-3-19(17-28)15-23(24)25/h3-6,15-16,18,20-21,29H,7-14H2,1-2H3