N-(3-nitrophenyl)-4-[3-[[2-(phenylazanylmethyl)pyrrolidin-1-yl]methyl]phenyl]pyrimidin-2-amine

Systemtic Name: N-(3-nitrophenyl)-4-[3-[[2-(phenylazanylmethyl)pyrrolidin-1-yl]methyl]phenyl]pyrimidin-2-amine Openeye Name: 4-[3-[[2-(anilinomethyl)pyrrolidin-1-yl]methyl]phenyl]-N-(3-nitrophenyl)pyrimidin-2-amine CAS Name: 4-[3-[[2-(anilinomethyl)-1-pyrrolidinyl]methyl]phenyl]-N-(3-nitrophenyl)-2-pyrimidinamine IUPAC Name: 4-[3-[[2-(anilinomethyl)pyrrolidin-1-yl]methyl]phenyl]-N-(3-nitrophenyl)pyrimidin-2-amine Traditional Name: [4-[3-[[2-(anilinomethyl)pyrrolidino]methyl]phenyl]pyrimidin-2-yl]-(3-nitrophenyl)amine Formula: C28H28N6O2 MolecularWeight: 480.56092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-])CNC5=CC=CC=C5

Isomeric SMILES

C1CC(N(C1)CC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-])CNC5=CC=CC=C5

InChI

InChI=1S/C28H28N6O2/c35-34(36)25-12-5-11-24(18-25)31-28-29-15-14-27(32-28)22-8-4-7-21(17-22)20-33-16-6-13-26(33)19-30-23-9-2-1-3-10-23/h1-5,7-12,14-15,17-18,26,30H,6,13,16,19-20H2,(H,29,31,32)