1,4-diazepan-1-yl-(2,3-dimethoxy-6-methyl-7-nitro-quinoxalin-5-yl)methanone

Systemtic Name: 1,4-diazepan-1-yl-(2,3-dimethoxy-6-methyl-7-nitro-quinoxalin-5-yl)methanone Openeye Name: 1,4-diazepan-1-yl-(2,3-dimethoxy-6-methyl-7-nitro-quinoxalin-5-yl)methanone CAS Name: 1,4-diazepan-1-yl-(2,3-dimethoxy-6-methyl-7-nitro-5-quinoxalinyl)methanone IUPAC Name: 1,4-diazepan-1-yl-(2,3-dimethoxy-6-methyl-7-nitroquinoxalin-5-yl)methanone Traditional Name: 1,4-diazepan-1-yl-(2,3-dimethoxy-6-methyl-7-nitro-quinoxalin-5-yl)methanone Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C(=O)N3CCCNCC3)N=C(C(=N2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1C(=O)N3CCCNCC3)N=C(C(=N2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O5/c1-10-12(22(24)25)9-11-14(20-16(27-3)15(19-11)26-2)13(10)17(23)21-7-4-5-18-6-8-21/h9,18H,4-8H2,1-3H3