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

Systemtic Name: 5-[(4-methylpiperazin-1-yl)methyl]-4-(4-nitrophenyl)-2-phenyl-pyrimidine Openeye Name: 5-[(4-methylpiperazin-1-yl)methyl]-4-(4-nitrophenyl)-2-phenyl-pyrimidine CAS Name: 5-[(4-methyl-1-piperazinyl)methyl]-4-(4-nitrophenyl)-2-phenylpyrimidine IUPAC Name: 5-[(4-methylpiperazin-1-yl)methyl]-4-(4-nitrophenyl)-2-phenylpyrimidine Traditional Name: 5-[(4-methylpiperazino)methyl]-4-(4-nitrophenyl)-2-phenyl-pyrimidine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CN=C(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CC2=CN=C(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2/c1-25-11-13-26(14-12-25)16-19-15-23-22(18-5-3-2-4-6-18)24-21(19)17-7-9-20(10-8-17)27(28)29/h2-10,15H,11-14,16H2,1H3