(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C24H28ClN4O2+ MolecularWeight: 439.95772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)OC)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)OC)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H27ClN4O2/c1-18-22(23(25)29(26-18)20-7-4-3-5-8-20)24(30)28-14-6-13-27(15-16-28)17-19-9-11-21(31-2)12-10-19/h3-5,7-12H,6,13-17H2,1-2H3/p+1