2-[(2S)-2-azanyl-3-methyl-pentanoyl]-N-(4-cyanophenyl)pyrazolidine-1-carboxamide chloride

Systemtic Name: 2-[(2S)-2-azanyl-3-methyl-pentanoyl]-N-(4-cyanophenyl)pyrazolidine-1-carboxamide chloride Openeye Name: 2-[(2S)-2-amino-3-methyl-pentanoyl]-N-(4-cyanophenyl)pyrazolidine-1-carboxamide chloride CAS Name: 2-[(2S)-2-amino-3-methyl-1-oxopentyl]-N-(4-cyanophenyl)-1-pyrazolidinecarboxamide chloride IUPAC Name: 2-[(2S)-2-amino-3-methylpentanoyl]-N-(4-cyanophenyl)pyrazolidine-1-carboxamide chloride Traditional Name: 2-[(2S)-2-amino-3-methyl-pentanoyl]-N-(4-cyanophenyl)pyrazolidine-1-carboxamide chloride Formula: C17H23ClN5O2- MolecularWeight: 364.84982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCN1C(=O)NC2=CC=C(C=C2)C#N)N.[Cl-]

Isomeric SMILES

CCC(C)[C@@H](C(=O)N1CCCN1C(=O)NC2=CC=C(C=C2)C#N)N.[Cl-]

InChI

InChI=1S/C17H23N5O2.ClH/c1-3-12(2)15(19)16(23)21-9-4-10-22(21)17(24)20-14-7-5-13(11-18)6-8-14;/h5-8,12,15H,3-4,9-10,19H2,1-2H3,(H,20,24);1H/p-1/t12?,15-;/m0./s1