N-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C24H24ClN5OS MolecularWeight: 465.99826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC(=O)NC2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C5=NC=CC=N5

InChI

InChI=1S/C24H24ClN5OS/c25-18-6-7-22-19(15-18)20(14-17-4-1-2-5-21(17)32-22)28-23(31)16-29-10-12-30(13-11-29)24-26-8-3-9-27-24/h1-9,15,20H,10-14,16H2,(H,28,31)