[4-[(4-bromophenyl)-phenyl-methyl]piperazin-1-yl]-(5-tert-butyl-2-methyl-pyrazol-3-yl)methanone

Systemtic Name: [4-[(4-bromophenyl)-phenyl-methyl]piperazin-1-yl]-(5-tert-butyl-2-methyl-pyrazol-3-yl)methanone Openeye Name: [4-[(4-bromophenyl)-phenyl-methyl]piperazin-1-yl]-(5-tert-butyl-2-methyl-pyrazol-3-yl)methanone CAS Name: [4-[(4-bromophenyl)-phenylmethyl]-1-piperazinyl]-(5-tert-butyl-2-methyl-3-pyrazolyl)methanone IUPAC Name: [4-[(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(5-tert-butyl-2-methylpyrazol-3-yl)methanone Traditional Name: [4-[(4-bromophenyl)-phenyl-methyl]piperazino]-(5-tert-butyl-2-methyl-pyrazol-3-yl)methanone Formula: C26H31BrN4O MolecularWeight: 495.45454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C26H31BrN4O/c1-26(2,3)23-18-22(29(4)28-23)25(32)31-16-14-30(15-17-31)24(19-8-6-5-7-9-19)20-10-12-21(27)13-11-20/h5-13,18,24H,14-17H2,1-4H3