N-[4-(azepan-1-ylcarbonyl)-1-oxidanylidene-isoquinolin-2-yl]pyrazine-2-carboxamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)-1-oxidanylidene-isoquinolin-2-yl]pyrazine-2-carboxamide Openeye Name: N-[4-(azepane-1-carbonyl)-1-oxo-2-isoquinolyl]pyrazine-2-carboxamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]-1-oxo-2-isoquinolinyl]-2-pyrazinecarboxamide IUPAC Name: N-[4-(azepane-1-carbonyl)-1-oxoisoquinolin-2-yl]pyrazine-2-carboxamide Traditional Name: N-[4-(azepane-1-carbonyl)-1-keto-2-isoquinolyl]pyrazinamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)NC(=O)C4=NC=CN=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)NC(=O)C4=NC=CN=C4

InChI

InChI=1S/C21H21N5O3/c27-19(18-13-22-9-10-23-18)24-26-14-17(15-7-3-4-8-16(15)21(26)29)20(28)25-11-5-1-2-6-12-25/h3-4,7-10,13-14H,1-2,5-6,11-12H2,(H,24,27)