N-[(3-nitrophenyl)methyl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]aniline

Systemtic Name: N-[(3-nitrophenyl)methyl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]aniline Openeye Name: N-[(3-nitrophenyl)methyl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]aniline CAS Name: N-[(3-nitrophenyl)methyl]-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]aniline IUPAC Name: N-[(3-nitrophenyl)methyl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]aniline Traditional Name: (3-nitrobenzyl)-[3-[[4-(2-pyrimidyl)piperazino]methyl]phenyl]amine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C22H24N6O2/c29-28(30)21-7-2-4-18(15-21)16-25-20-6-1-5-19(14-20)17-26-10-12-27(13-11-26)22-23-8-3-9-24-22/h1-9,14-15,25H,10-13,16-17H2