2-[4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C26H32N5O3+ MolecularWeight: 462.56398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H31N5O3/c1-28(2)24(32)19-29-14-7-15-30(17-16-29)26(33)23-18-31(21-8-5-4-6-9-21)27-25(23)20-10-12-22(34-3)13-11-20/h4-6,8-13,18H,7,14-17,19H2,1-3H3/p+1