N-[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C28H26N6O3 MolecularWeight: 494.54444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H26N6O3/c1-19-29-24(20-7-3-2-4-8-20)18-27(30-19)31-22-10-12-23(13-11-22)32-28(35)21-9-14-25(26(17-21)34(36)37)33-15-5-6-16-33/h2-4,7-14,17-18H,5-6,15-16H2,1H3,(H,32,35)(H,29,30,31)