2-[[4-[5-(4-bromophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methyl]-4-propan-2-yl-morpholine

Systemtic Name: 2-[[4-[5-(4-bromophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methyl]-4-propan-2-yl-morpholine Openeye Name: 2-[[4-[5-(4-bromophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methyl]-4-isopropyl-morpholine CAS Name: 2-[[4-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-1-piperazinyl]methyl]-4-propan-2-ylmorpholine IUPAC Name: 2-[[4-[5-(4-bromophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine Traditional Name: 2-[[4-[5-(4-bromophenyl)-1H-pyrazol-3-yl]piperazino]methyl]-4-isopropyl-morpholine Formula: C21H30BrN5O MolecularWeight: 448.3998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCOC(C1)CN2CCN(CC2)C3=NNC(=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)N1CCOC(C1)CN2CCN(CC2)C3=NNC(=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H30BrN5O/c1-16(2)27-11-12-28-19(15-27)14-25-7-9-26(10-8-25)21-13-20(23-24-21)17-3-5-18(22)6-4-17/h3-6,13,16,19H,7-12,14-15H2,1-2H3,(H,23,24)