(4-bromanyl-3-nitro-1H-pyrazol-5-yl)-[4-(diphenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (4-bromanyl-3-nitro-1H-pyrazol-5-yl)-[4-(diphenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-(4-bromo-3-nitro-1H-pyrazol-5-yl)methanone CAS Name: (4-bromo-3-nitro-1H-pyrazol-5-yl)-[4-(diphenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-(4-bromo-3-nitro-1H-pyrazol-5-yl)methanone Traditional Name: (4-benzhydrylpiperazino)-(4-bromo-3-nitro-1H-pyrazol-5-yl)methanone Formula: C21H20BrN5O3 MolecularWeight: 470.3192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C(C(=NN4)[N+](=O)[O-])Br

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C(C(=NN4)[N+](=O)[O-])Br

InChI

InChI=1S/C21H20BrN5O3/c22-17-18(23-24-20(17)27(29)30)21(28)26-13-11-25(12-14-26)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,23,24)