(Z)-but-2-enedioate; 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-2-yl-piperazine

Systemtic Name: (Z)-but-2-enedioate; 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-2-yl-piperazine Openeye Name: (Z)-but-2-enedioate; 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-pyridyl)piperazine CAS Name: (Z)-2-butenedioate; 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-pyridinyl)piperazine IUPAC Name: (Z)-but-2-enedioate; 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-2-ylpiperazine Traditional Name: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-pyridyl)piperazine dimaleate Formula: C31H27N3O8S-4 MolecularWeight: 601.62638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC3=CC=CC=C3SC4=CC=CC=C24)C5=CC=CC=N5.C(=CC(=O)[O-])C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1N(CCN(C1)C2=CC=CC=N2)C3C4=CC=CC=C4SC5=CC=CC=C5C3.C(=C\C(=O)[O-])\C(=O)[O-].C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C23H23N3S.2C4H4O4/c1-3-9-21-18(7-1)17-20(19-8-2-4-10-22(19)27-21)25-13-15-26(16-14-25)23-11-5-6-12-24-23;2*5-3(6)1-2-4(7)8/h1-12,20H,13-17H2;2*1-2H,(H,5,6)(H,7,8)/p-4/b;2*2-1-