3-azanyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pyrazinamide Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=NC=CN=C3N

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C16H18N4O3/c1-10(20-16(21)14-15(17)19-6-5-18-14)11-3-4-12-13(9-11)23-8-2-7-22-12/h3-6,9-10H,2,7-8H2,1H3,(H2,17,19)(H,20,21)