[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]methanone

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]methanone Openeye Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[4-(3-methyl-1-piperidyl)-3-nitro-phenyl]methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]methanone Traditional Name: [4-(5-bromopyrimidin-2-yl)piperazino]-[4-(3-methylpiperidino)-3-nitro-phenyl]methanone Formula: C21H25BrN6O3 MolecularWeight: 489.3656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=N4)Br)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=N4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H25BrN6O3/c1-15-3-2-6-27(14-15)18-5-4-16(11-19(18)28(30)31)20(29)25-7-9-26(10-8-25)21-23-12-17(22)13-24-21/h4-5,11-13,15H,2-3,6-10,14H2,1H3