2-[4-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[4-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-[6-(3-bromoanilino)-4-pyrimidinyl]-1-piperazinyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazino]-N-(3-nitrophenyl)acetamide Formula: C22H22BrN7O3 MolecularWeight: 512.35918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H22BrN7O3/c23-16-3-1-4-17(11-16)26-20-13-21(25-15-24-20)29-9-7-28(8-10-29)14-22(31)27-18-5-2-6-19(12-18)30(32)33/h1-6,11-13,15H,7-10,14H2,(H,27,31)(H,24,25,26)