1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-3-(4-chloranylpyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-3-(4-chloranylpyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-3-(4-chloropyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(2-bromophenyl)methyl]-1-piperazinyl]-3-(4-chloro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-3-(4-chloropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(2-bromobenzyl)piperazino]-3-(4-chloropyrazol-1-yl)propan-1-one Formula: C17H20BrClN4O MolecularWeight: 411.7239

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Br)C(=O)CCN3C=C(C=N3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Br)C(=O)CCN3C=C(C=N3)Cl

InChI

InChI=1S/C17H20BrClN4O/c18-16-4-2-1-3-14(16)12-21-7-9-22(10-8-21)17(24)5-6-23-13-15(19)11-20-23/h1-4,11,13H,5-10,12H2