4-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]piperazine-1-carbaldehyde Openeye Name: 4-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]piperazine-1-carbaldehyde CAS Name: 4-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]methyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]methyl]piperazine-1-carbaldehyde Traditional Name: 4-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]piperazine-1-carbaldehyde Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1CN2CCN(CC2)C=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1CN2CCN(CC2)C=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O3/c1-17-21(15-26-10-12-27(16-29)13-11-26)22(19-8-5-9-20(14-19)28(30)31)25-23(24-17)18-6-3-2-4-7-18/h2-9,14,16H,10-13,15H2,1H3