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

Systemtic Name: [3-nitro-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]phenyl]-phenyl-methanone Openeye Name: [3-nitro-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]phenyl]-phenylmethanone Traditional Name: [3-nitro-4-[3-[4-(2-pyrimidyl)piperazino]propylamino]phenyl]-phenyl-methanone Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCNC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C24H26N6O3/c31-23(19-6-2-1-3-7-19)20-8-9-21(22(18-20)30(32)33)25-12-5-13-28-14-16-29(17-15-28)24-26-10-4-11-27-24/h1-4,6-11,18,25H,5,12-17H2