(3-bromophenyl)-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (3-bromophenyl)-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (3-bromophenyl)-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (3-bromophenyl)-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]methanone Formula: C29H26BrN5O3 MolecularWeight: 572.45244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Br)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Br)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H26BrN5O3/c1-20-26(18-21-10-12-25(13-11-21)35(37)38)28(32-27(31-20)22-6-3-2-4-7-22)33-14-16-34(17-15-33)29(36)23-8-5-9-24(30)19-23/h2-13,19H,14-18H2,1H3