(2S)-N-(1-adamantylmethyl)-2-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: (2S)-N-(1-adamantylmethyl)-2-(4-nitropyrazol-1-yl)propanamide Openeye Name: (2S)-N-(1-adamantylmethyl)-2-(4-nitropyrazol-1-yl)propanamide CAS Name: (2S)-N-(1-adamantylmethyl)-2-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: (2S)-N-(1-adamantylmethyl)-2-(4-nitropyrazol-1-yl)propanamide Traditional Name: (2S)-N-(1-adamantylmethyl)-2-(4-nitropyrazol-1-yl)propionamide Formula: C17H24N4O3 MolecularWeight: 332.39746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC12CC3CC(C1)CC(C3)C2)N4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC12CC3CC(C1)CC(C3)C2)N4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O3/c1-11(20-9-15(8-19-20)21(23)24)16(22)18-10-17-5-12-2-13(6-17)4-14(3-12)7-17/h8-9,11-14H,2-7,10H2,1H3,(H,18,22)/t11-,12?,13?,14?,17?/m0/s1