N-[1-(1-adamantyl)pyrazol-3-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[1-(1-adamantyl)pyrazol-3-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[1-(1-adamantyl)pyrazol-3-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[1-(1-adamantyl)-3-pyrazolyl]-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-(1-adamantyl)pyrazol-3-yl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-(1-adamantyl)pyrazol-3-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O3/c1-13-20(27(29)30)14(2)25(23-13)5-4-19(28)22-18-3-6-26(24-18)21-10-15-7-16(11-21)9-17(8-15)12-21/h3,6,15-17H,4-5,7-12H2,1-2H3,(H,22,24,28)