1-methyl-4-(3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine

Systemtic Name: 1-methyl-4-(3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Openeye Name: 1-methyl-4-(3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine CAS Name: 1-methyl-4-(3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine IUPAC Name: 1-methyl-4-(3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Traditional Name: 1-methyl-4-(3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O2S/c1-20-8-10-21(11-9-20)17-12-14-4-2-3-5-18(14)25-19-7-6-15(22(23)24)13-16(17)19/h2-7,13,17H,8-12H2,1H3