4-[[2-(4-pyridin-2-ylcarbonylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(4-pyridin-2-ylcarbonylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-1-(3-pyrrolidin-1-ylphenyl)ethoxy]methyl]benzonitrile CAS Name: 4-[[2-[4-[oxo(2-pyridinyl)methyl]-1-piperazinyl]-1-[3-(1-pyrrolidinyl)phenyl]ethoxy]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-1-(3-pyrrolidin-1-ylphenyl)ethoxy]methyl]benzonitrile Traditional Name: 4-[[2-(4-picolinoylpiperazino)-1-(3-pyrrolidinophenyl)ethoxy]methyl]benzonitrile Formula: C30H33N5O2 MolecularWeight: 495.61532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC(=C2)C(CN3CCN(CC3)C(=O)C4=CC=CC=N4)OCC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCN(C1)C2=CC=CC(=C2)C(CN3CCN(CC3)C(=O)C4=CC=CC=N4)OCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C30H33N5O2/c31-21-24-9-11-25(12-10-24)23-37-29(26-6-5-7-27(20-26)34-14-3-4-15-34)22-33-16-18-35(19-17-33)30(36)28-8-1-2-13-32-28/h1-2,5-13,20,29H,3-4,14-19,22-23H2