2-methyl-4-(4-methylpiperazin-1-yl)-7-nitro-thieno[2,3-b][1,5]benzoxazepine

Systemtic Name: 2-methyl-4-(4-methylpiperazin-1-yl)-7-nitro-thieno[2,3-b][1,5]benzoxazepine Openeye Name: 2-methyl-4-(4-methylpiperazin-1-yl)-7-nitro-thieno[2,3-b][1,5]benzoxazepine CAS Name: 2-methyl-4-(4-methyl-1-piperazinyl)-7-nitrothieno[2,3-b][1,5]benzoxazepine IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-7-nitrothieno[2,3-b][1,5]benzoxazepine Traditional Name: 2-methyl-4-(4-methylpiperazino)-7-nitro-thieno[2,3-b][1,5]benzoxazepine Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)OC3=C(C=C(C=C3)[N+](=O)[O-])N=C2N4CCN(CC4)C

Isomeric SMILES

CC1=CC2=C(S1)OC3=C(C=C(C=C3)[N+](=O)[O-])N=C2N4CCN(CC4)C

InChI

InChI=1S/C17H18N4O3S/c1-11-9-13-16(20-7-5-19(2)6-8-20)18-14-10-12(21(22)23)3-4-15(14)24-17(13)25-11/h3-4,9-10H,5-8H2,1-2H3