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

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-methyl-pyrazine-2-carboxamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-methyl-pyrazine-2-carboxamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-methyl-2-pyrazinecarboxamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-methylpyrazine-2-carboxamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-methyl-pyrazinamide Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H19N3O3/c1-11-9-19-14(10-18-11)17(21)20-12(2)13-4-5-15-16(8-13)23-7-3-6-22-15/h4-5,8-10,12H,3,6-7H2,1-2H3,(H,20,21)