(2S)-2-(4-cyclopentylcarbonylpiperazin-1-ium-1-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: (2S)-2-(4-cyclopentylcarbonylpiperazin-1-ium-1-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: (2S)-2-[4-[cyclopentyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C24H34N5O3+ MolecularWeight: 440.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)[NH+]3CCN(CC3)C(=O)C4CCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)[NH+]3CCN(CC3)C(=O)C4CCCC4

InChI

InChI=1S/C24H33N5O3/c1-17-21(24(32)29(26(17)3)20-11-5-4-6-12-20)25-22(30)18(2)27-13-15-28(16-14-27)23(31)19-9-7-8-10-19/h4-6,11-12,18-19H,7-10,13-16H2,1-3H3,(H,25,30)/p+1/t18-/m0/s1