(1-tert-butyl-5-phenyl-pyrazol-4-yl)-[(2R)-2-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (1-tert-butyl-5-phenyl-pyrazol-4-yl)-[(2R)-2-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: [(2R)-2-benzylpiperazin-1-yl]-(1-tert-butyl-5-phenyl-pyrazol-4-yl)methanone CAS Name: (1-tert-butyl-5-phenyl-4-pyrazolyl)-[(2R)-2-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: [(2R)-2-benzylpiperazin-1-yl]-(1-tert-butyl-5-phenylpyrazol-4-yl)methanone Traditional Name: [(2R)-2-benzylpiperazino]-(1-tert-butyl-5-phenyl-pyrazol-4-yl)methanone Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C=N1)C(=O)N2CCNCC2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1C(=C(C=N1)C(=O)N2CCNC[C@H]2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-25(2,3)29-23(20-12-8-5-9-13-20)22(18-27-29)24(30)28-15-14-26-17-21(28)16-19-10-6-4-7-11-19/h4-13,18,21,26H,14-17H2,1-3H3/t21-/m1/s1