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

Systemtic Name: N-[1-(1-adamantyl)propyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[1-(1-adamantyl)propyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[1-(1-adamantyl)propyl]-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-(1-adamantyl)propyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-(1-adamantyl)propyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H32N4O3/c1-4-18(21-10-15-7-16(11-21)9-17(8-15)12-21)22-19(26)5-6-24-14(3)20(25(27)28)13(2)23-24/h15-18H,4-12H2,1-3H3,(H,22,26)