[3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-phenyl-methanone

Systemtic Name: [3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-phenyl-methanone Openeye Name: [3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-phenylmethanone Traditional Name: [3-nitro-4-[4-(2-pyrimidyl)piperazino]phenyl]-phenyl-methanone Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C21H19N5O3/c27-20(16-5-2-1-3-6-16)17-7-8-18(19(15-17)26(28)29)24-11-13-25(14-12-24)21-22-9-4-10-23-21/h1-10,15H,11-14H2