[1-[(4-bromanylphenoxy)methyl]pyrazol-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [1-[(4-bromanylphenoxy)methyl]pyrazol-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: [1-[(4-bromophenoxy)methyl]pyrazol-3-yl]-[4-(3-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [1-[(4-bromophenoxy)methyl]-3-pyrazolyl]-[4-(3-pyridinylmethyl)-1-piperazinyl]methanone IUPAC Name: [1-[(4-bromophenoxy)methyl]pyrazol-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: [1-[(4-bromophenoxy)methyl]pyrazol-3-yl]-[4-(3-pyridylmethyl)piperazino]methanone Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)C3=NN(C=C3)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)C3=NN(C=C3)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrN5O2/c22-18-3-5-19(6-4-18)29-16-27-9-7-20(24-27)21(28)26-12-10-25(11-13-26)15-17-2-1-8-23-14-17/h1-9,14H,10-13,15-16H2