3-azanyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[4-(3-ketopiperazino)benzyl]pyrazinamide Formula: C16H18N6O2 MolecularWeight: 326.35312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=NC=CN=C3N

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C16H18N6O2/c17-15-14(19-5-6-20-15)16(24)21-9-11-1-3-12(4-2-11)22-8-7-18-13(23)10-22/h1-6H,7-10H2,(H2,17,20)(H,18,23)(H,21,24)