4-[(4-methoxyphenyl)methyl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(4-methoxyphenyl)methyl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(4-methoxyphenyl)methyl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(4-methoxyphenyl)methyl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-p-anisyl-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-ium-5-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-29-21-9-7-18(8-10-21)16-27-14-13-26(12-11-22(27)28)17-20-15-24-25-23(20)19-5-3-2-4-6-19/h2-10,15H,11-14,16-17H2,1H3,(H,24,25)/p+1