1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-(3-methoxypropylamino)quinoxalin-2-one

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-(3-methoxypropylamino)quinoxalin-2-one Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]-3-(3-methoxypropylamino)quinoxalin-2-one CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-3-(3-methoxypropylamino)-2-quinoxalinone IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]-3-(3-methoxypropylamino)quinoxalin-2-one Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-3-(3-methoxypropylamino)quinoxalin-2-one Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC2=CC=CC=C2N(C1=O)CC(=O)N3CCCCCC3

Isomeric SMILES

COCCCNC1=NC2=CC=CC=C2N(C1=O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H28N4O3/c1-27-14-8-11-21-19-20(26)24(17-10-5-4-9-16(17)22-19)15-18(25)23-12-6-2-3-7-13-23/h4-5,9-10H,2-3,6-8,11-15H2,1H3,(H,21,22)