N-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]-2-pyrrolidin-1-yl-ethanamide

Systemtic Name: N-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]-2-pyrrolidin-1-yl-ethanamide Openeye Name: N-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]-2-pyrrolidin-1-yl-acetamide CAS Name: N-[4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]-2-(1-pyrrolidinyl)acetamide IUPAC Name: N-[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]-2-pyrrolidin-1-ylacetamide Traditional Name: N-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]-2-pyrrolidino-acetamide Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1NC(=O)CN2CCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1NC(=O)CN2CCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O3/c1-16-21(25-20(29)15-27-12-5-6-13-27)22(18-10-7-11-19(14-18)28(30)31)26-23(24-16)17-8-3-2-4-9-17/h2-4,7-11,14H,5-6,12-13,15H2,1H3,(H,25,29)