2-[(2S,3S)-2-azanyl-3-methyl-pentanoyl]-N-isoquinolin-1-yl-pyrazolidine-1-carboxamide hydrochloride

Systemtic Name: 2-[(2S,3S)-2-azanyl-3-methyl-pentanoyl]-N-isoquinolin-1-yl-pyrazolidine-1-carboxamide hydrochloride Openeye Name: 2-[(2S,3S)-2-amino-3-methyl-pentanoyl]-N-(1-isoquinolyl)pyrazolidine-1-carboxamide hydrochloride CAS Name: 2-[(2S,3S)-2-amino-3-methyl-1-oxopentyl]-N-(1-isoquinolinyl)-1-pyrazolidinecarboxamide hydrochloride IUPAC Name: 2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-isoquinolin-1-ylpyrazolidine-1-carboxamide hydrochloride Traditional Name: 2-[(2S,3S)-2-amino-3-methyl-pentanoyl]-N-(1-isoquinolyl)pyrazolidine-1-carboxamide hydrochloride Formula: C19H26ClN5O2 MolecularWeight: 391.89504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCN1C(=O)NC2=NC=CC3=CC=CC=C32)N.Cl

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCCN1C(=O)NC2=NC=CC3=CC=CC=C32)N.Cl

InChI

InChI=1S/C19H25N5O2.ClH/c1-3-13(2)16(20)18(25)23-11-6-12-24(23)19(26)22-17-15-8-5-4-7-14(15)9-10-21-17;/h4-5,7-10,13,16H,3,6,11-12,20H2,1-2H3,(H,21,22,26);1H/t13-,16-;/m0./s1