N-[1-(3-isoquinolin-1-yl-5-oxidanylidene-2H-1,2,4-triazin-6-yl)propyl]cyclopentanecarboxamide

Systemtic Name: N-[1-(3-isoquinolin-1-yl-5-oxidanylidene-2H-1,2,4-triazin-6-yl)propyl]cyclopentanecarboxamide Openeye Name: N-[1-[3-(1-isoquinolyl)-5-oxo-2H-1,2,4-triazin-6-yl]propyl]cyclopentanecarboxamide CAS Name: N-[1-[3-(1-isoquinolinyl)-5-oxo-2H-1,2,4-triazin-6-yl]propyl]cyclopentanecarboxamide IUPAC Name: N-[1-(3-isoquinolin-1-yl-5-oxo-2H-1,2,4-triazin-6-yl)propyl]cyclopentanecarboxamide Traditional Name: N-[1-[3-(1-isoquinolyl)-5-keto-2H-1,2,4-triazin-6-yl]propyl]cyclopentanecarboxamide Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NNC(=NC1=O)C2=NC=CC3=CC=CC=C32)NC(=O)C4CCCC4

Isomeric SMILES

CCC(C1=NNC(=NC1=O)C2=NC=CC3=CC=CC=C32)NC(=O)C4CCCC4

InChI

InChI=1S/C21H23N5O2/c1-2-16(23-20(27)14-8-3-4-9-14)18-21(28)24-19(26-25-18)17-15-10-6-5-7-13(15)11-12-22-17/h5-7,10-12,14,16H,2-4,8-9H2,1H3,(H,23,27)(H,24,26,28)