(4-ethylpiperazin-4-ium-1-yl)-[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: [1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: [1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3OC)CC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3OC)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c1-3-26-13-15-27(16-14-26)24(29)21-18-28(17-19-9-5-4-6-10-19)25-23(21)20-11-7-8-12-22(20)30-2/h4-12,18H,3,13-17H2,1-2H3/p+1