(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methanone Openeye Name: (1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]methanone CAS Name: (1-butyl-5-chloro-3-methyl-4-pyrazolyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (1-butyl-5-chloro-3-methylpyrazol-4-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-[4-(3-fluoro-4-methoxy-benzyl)piperazino]methanone Formula: C21H28ClFN4O2 MolecularWeight: 422.924023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F)Cl

InChI

InChI=1S/C21H28ClFN4O2/c1-4-5-8-27-20(22)19(15(2)24-27)21(28)26-11-9-25(10-12-26)14-16-6-7-18(29-3)17(23)13-16/h6-7,13H,4-5,8-12,14H2,1-3H3