2-[4-[3,3-bis(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile

Systemtic Name: 2-[4-[3,3-bis(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[4-[3,3-bis(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-[3,3-bis(4-methoxyphenyl)-1-oxopropyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[4-[3,3-bis(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[4-[3,3-bis(4-methoxyphenyl)propanoyl]piperazino]-2-(3-pyridyl)acetonitrile Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)N2CCN(CC2)C(C#N)C3=CN=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)N2CCN(CC2)C(C#N)C3=CN=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H30N4O3/c1-34-24-9-5-21(6-10-24)26(22-7-11-25(35-2)12-8-22)18-28(33)32-16-14-31(15-17-32)27(19-29)23-4-3-13-30-20-23/h3-13,20,26-27H,14-18H2,1-2H3