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

Systemtic Name: 2-[(2S,3S)-2-azanyl-3-methyl-pentanoyl]-N-isoquinolin-1-yl-pyrazolidine-1-carboxamide Openeye Name: 2-[(2S,3S)-2-amino-3-methyl-pentanoyl]-N-(1-isoquinolyl)pyrazolidine-1-carboxamide CAS Name: 2-[(2S,3S)-2-amino-3-methyl-1-oxopentyl]-N-(1-isoquinolinyl)-1-pyrazolidinecarboxamide IUPAC Name: 2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-isoquinolin-1-ylpyrazolidine-1-carboxamide Traditional Name: 2-[(2S,3S)-2-amino-3-methyl-pentanoyl]-N-(1-isoquinolyl)pyrazolidine-1-carboxamide Formula: C19H25N5O2 MolecularWeight: 355.4341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2/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)/t13-,16-/m0/s1