3-azanyl-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrazinamide Formula: C15H15ClN4O3 MolecularWeight: 334.7576

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3=NC=CN=C3N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3=NC=CN=C3N)Cl)OC1

InChI

InChI=1S/C15H15ClN4O3/c16-10-6-9(7-11-13(10)23-5-1-4-22-11)8-20-15(21)12-14(17)19-3-2-18-12/h2-3,6-7H,1,4-5,8H2,(H2,17,19)(H,20,21)