[2-(4-chlorophenyl)-4-(3-nitrophenyl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [2-(4-chlorophenyl)-4-(3-nitrophenyl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [2-(4-chlorophenyl)-4-(3-nitrophenyl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [2-(4-chlorophenyl)-4-(3-nitrophenyl)-5-pyrimidinyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [2-(4-chlorophenyl)-4-(3-nitrophenyl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [2-(4-chlorophenyl)-4-(3-nitrophenyl)pyrimidin-5-yl]-(4-methylpiperazino)methanone Formula: C22H20ClN5O3 MolecularWeight: 437.8789

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CN=C(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CN=C(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN5O3/c1-26-9-11-27(12-10-26)22(29)19-14-24-21(15-5-7-17(23)8-6-15)25-20(19)16-3-2-4-18(13-16)28(30)31/h2-8,13-14H,9-12H2,1H3