8-nitro-4-[4-(phenylmethyl)piperazin-1-yl]-10H-thieno[3,4-b][1,5]benzodiazepine

Systemtic Name: 8-nitro-4-[4-(phenylmethyl)piperazin-1-yl]-10H-thieno[3,4-b][1,5]benzodiazepine Openeye Name: 4-(4-benzylpiperazin-1-yl)-8-nitro-10H-thieno[3,4-b][1,5]benzodiazepine CAS Name: 8-nitro-4-[4-(phenylmethyl)-1-piperazinyl]-10H-thieno[3,4-b][1,5]benzodiazepine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-8-nitro-10H-thieno[3,4-b][1,5]benzodiazepine Traditional Name: 4-(4-benzylpiperazino)-8-nitro-10H-thieno[3,4-b][1,5]benzodiazepine Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC5=CSC=C53

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC5=CSC=C53

InChI

InChI=1S/C22H21N5O2S/c28-27(29)17-6-7-19-20(12-17)23-21-15-30-14-18(21)22(24-19)26-10-8-25(9-11-26)13-16-4-2-1-3-5-16/h1-7,12,14-15,23H,8-11,13H2