4-[4-[[5-[(3,5-dimethylphenyl)methoxy]-4-oxidanylidene-pyran-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[[5-[(3,5-dimethylphenyl)methoxy]-4-oxidanylidene-pyran-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[[5-[(3,5-dimethylphenyl)methoxy]-4-oxo-pyran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[[5-[(3,5-dimethylphenyl)methoxy]-4-oxo-2-pyranyl]methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[[5-[(3,5-dimethylphenyl)methoxy]-4-oxopyran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[[5-(3,5-dimethylbenzyl)oxy-4-keto-pyran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Formula: C27H27N3O4 MolecularWeight: 457.52098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C27H27N3O4/c1-19-11-20(2)13-22(12-19)17-34-26-18-33-24(14-25(26)31)16-29-7-9-30(10-8-29)27(32)23-5-3-21(15-28)4-6-23/h3-6,11-14,18H,7-10,16-17H2,1-2H3