N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N6O3/c1-14-11-15(2)26(24-14)20-8-6-17(13-22-20)23-21(28)16-5-7-18(19(12-16)27(29)30)25-9-3-4-10-25/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,23,28)