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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Br)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Br)C(C)(C)C

InChI

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