N-[1-(1-adamantyl)propyl]-3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[1-(1-adamantyl)propyl]-3-(4-bromo-3-nitro-pyrazol-1-yl)propanamide CAS Name: N-[1-(1-adamantyl)propyl]-3-(4-bromo-3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-(1-adamantyl)propyl]-3-(4-bromo-3-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-(1-adamantyl)propyl]-3-(4-bromo-3-nitro-pyrazol-1-yl)propionamide Formula: C19H27BrN4O3 MolecularWeight: 439.34668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27BrN4O3/c1-2-16(19-8-12-5-13(9-19)7-14(6-12)10-19)21-17(25)3-4-23-11-15(20)18(22-23)24(26)27/h11-14,16H,2-10H2,1H3,(H,21,25)