2-[4-[2-[2-bromanyl-3,5-bis(methoxymethoxy)-6-phenyl-phenyl]ethanoyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[2-[2-bromanyl-3,5-bis(methoxymethoxy)-6-phenyl-phenyl]ethanoyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenyl-phenyl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-1-oxoethyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenyl-phenyl]acetyl]piperazino]nicotinonitrile Formula: C28H29BrN4O5 MolecularWeight: 581.45766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCOC1=CC(=C(C(=C1C2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=C(C=CC=N4)C#N)Br)OCOC

Isomeric SMILES

COCOC1=CC(=C(C(=C1C2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=C(C=CC=N4)C#N)Br)OCOC

InChI

InChI=1S/C28H29BrN4O5/c1-35-18-37-23-16-24(38-19-36-2)27(29)22(26(23)20-7-4-3-5-8-20)15-25(34)32-11-13-33(14-12-32)28-21(17-30)9-6-10-31-28/h3-10,16H,11-15,18-19H2,1-2H3