4-[4-[[5-[(4-tert-butylphenyl)methoxy]-4-oxidanylidene-pyran-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[[5-[(4-tert-butylphenyl)methoxy]-4-oxidanylidene-pyran-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[[5-[(4-tert-butylphenyl)methoxy]-4-oxo-pyran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[[5-[(4-tert-butylphenyl)methoxy]-4-oxo-2-pyranyl]methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[[5-[(4-tert-butylphenyl)methoxy]-4-oxopyran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[[5-(4-tert-butylbenzyl)oxy-4-keto-pyran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Formula: C29H31N3O4 MolecularWeight: 485.57414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H31N3O4/c1-29(2,3)24-10-6-22(7-11-24)19-36-27-20-35-25(16-26(27)33)18-31-12-14-32(15-13-31)28(34)23-8-4-21(17-30)5-9-23/h4-11,16,20H,12-15,18-19H2,1-3H3