1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Openeye Name: 1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-(1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 1-[4-(4-chlorobenzyl)-1,4-diazepan-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Formula: C24H28ClN4O+ MolecularWeight: 423.95832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)CCC2=CN(N=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)CCC2=CN(N=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN4O/c25-22-10-7-20(8-11-22)18-27-13-4-14-28(16-15-27)24(30)12-9-21-17-26-29(19-21)23-5-2-1-3-6-23/h1-3,5-8,10-11,17,19H,4,9,12-16,18H2/p+1