N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-3-pyrazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N7O3/c1-13-10-14(2)23-21(22-13)27-19(11-15(3)25-27)24-20(29)16-6-7-17(18(12-16)28(30)31)26-8-4-5-9-26/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,24,29)