4-piperidin-1-yl-1-[4-[3-[1-(triphenylmethyl)imidazol-4-yl]propoxy]phenyl]butan-1-one

Systemtic Name: 4-piperidin-1-yl-1-[4-[3-[1-(triphenylmethyl)imidazol-4-yl]propoxy]phenyl]butan-1-one Openeye Name: 4-(1-piperidyl)-1-[4-[3-(1-tritylimidazol-4-yl)propoxy]phenyl]butan-1-one CAS Name: 4-(1-piperidinyl)-1-[4-[3-[1-(triphenylmethyl)-4-imidazolyl]propoxy]phenyl]-1-butanone IUPAC Name: 4-piperidin-1-yl-1-[4-[3-(1-tritylimidazol-4-yl)propoxy]phenyl]butan-1-one Traditional Name: 4-piperidino-1-[4-[3-(1-tritylimidazol-4-yl)propoxy]phenyl]butan-1-one Formula: C40H43N3O2 MolecularWeight: 597.78832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)OCCCC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)OCCCC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C40H43N3O2/c44-39(22-13-29-42-27-11-4-12-28-42)33-23-25-38(26-24-33)45-30-14-21-37-31-43(32-41-37)40(34-15-5-1-6-16-34,35-17-7-2-8-18-35)36-19-9-3-10-20-36/h1-3,5-10,15-20,23-26,31-32H,4,11-14,21-22,27-30H2