5-[(4-methylpiperazin-1-yl)methyl]-4-[(3-nitrophenyl)methyl]-2-phenyl-pyrimidine

Systemtic Name: 5-[(4-methylpiperazin-1-yl)methyl]-4-[(3-nitrophenyl)methyl]-2-phenyl-pyrimidine Openeye Name: 5-[(4-methylpiperazin-1-yl)methyl]-4-[(3-nitrophenyl)methyl]-2-phenyl-pyrimidine CAS Name: 5-[(4-methyl-1-piperazinyl)methyl]-4-[(3-nitrophenyl)methyl]-2-phenylpyrimidine IUPAC Name: 5-[(4-methylpiperazin-1-yl)methyl]-4-[(3-nitrophenyl)methyl]-2-phenylpyrimidine Traditional Name: 5-[(4-methylpiperazino)methyl]-4-(3-nitrobenzyl)-2-phenyl-pyrimidine Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CN=C(N=C2CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CC2=CN=C(N=C2CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2/c1-26-10-12-27(13-11-26)17-20-16-24-23(19-7-3-2-4-8-19)25-22(20)15-18-6-5-9-21(14-18)28(29)30/h2-9,14,16H,10-13,15,17H2,1H3