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

Systemtic Name: 3-nitro-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[4-[(6-phenyl-4-pyrimidinyl)amino]phenyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4-pyrrolidino-benzamide Formula: C27H24N6O3 MolecularWeight: 480.51786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC4=NC=NC(=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC4=NC=NC(=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H24N6O3/c34-27(20-8-13-24(25(16-20)33(35)36)32-14-4-5-15-32)31-22-11-9-21(10-12-22)30-26-17-23(28-18-29-26)19-6-2-1-3-7-19/h1-3,6-13,16-18H,4-5,14-15H2,(H,31,34)(H,28,29,30)