(4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)-[4-[2-(diphenylmethyl)oxyethyl]piperazin-1-yl]methanone

Systemtic Name: (4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)-[4-[2-(diphenylmethyl)oxyethyl]piperazin-1-yl]methanone Openeye Name: [4-(2-benzhydryloxyethyl)piperazin-1-yl]-(4-bromo-2-ethyl-5-methyl-pyrazol-3-yl)methanone CAS Name: (4-bromo-2-ethyl-5-methyl-3-pyrazolyl)-[4-[2-(diphenylmethyl)oxyethyl]-1-piperazinyl]methanone IUPAC Name: [4-(2-benzhydryloxyethyl)piperazin-1-yl]-(4-bromo-2-ethyl-5-methylpyrazol-3-yl)methanone Traditional Name: [4-(2-benzhydryloxyethyl)piperazino]-(4-bromo-2-ethyl-5-methyl-pyrazol-3-yl)methanone Formula: C26H31BrN4O2 MolecularWeight: 511.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H31BrN4O2/c1-3-31-24(23(27)20(2)28-31)26(32)30-16-14-29(15-17-30)18-19-33-25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,25H,3,14-19H2,1-2H3