(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone Openeye Name: (1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]methanone CAS Name: (1-butyl-5-chloro-3-methyl-4-pyrazolyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (1-butyl-5-chloro-3-methylpyrazol-4-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone Traditional Name: (1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-[4-(coumaran-5-ylmethyl)piperazino]methanone Formula: C22H29ClN4O2 MolecularWeight: 416.94426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)Cl

InChI

InChI=1S/C22H29ClN4O2/c1-3-4-8-27-21(23)20(16(2)24-27)22(28)26-11-9-25(10-12-26)15-17-5-6-19-18(14-17)7-13-29-19/h5-6,14H,3-4,7-13,15H2,1-2H3