4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidine

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidine Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-6-methyl-2-(4-nitro-1-pyrazolyl)pyrimidine IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidine Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidine Formula: C18H18ClN7O2 MolecularWeight: 399.83422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H18ClN7O2/c1-13-9-17(22-18(21-13)25-12-16(11-20-25)26(27)28)24-7-5-23(6-8-24)15-4-2-3-14(19)10-15/h2-4,9-12H,5-8H2,1H3