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

Systemtic Name: N-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-2-(4-phenylpiperazin-1-yl)ethanamide Openeye Name: N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-2-(4-phenylpiperazin-1-yl)acetamide CAS Name: N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-2-(4-phenyl-1-piperazinyl)acetamide IUPAC Name: N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-2-(4-phenylpiperazin-1-yl)acetamide Traditional Name: N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-2-(4-phenylpiperazino)acetamide Formula: C26H26ClN3OS MolecularWeight: 464.02214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(=O)NC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24)C5=CC=CC=C5

InChI

InChI=1S/C26H26ClN3OS/c27-20-10-11-24-19(16-20)17-23(22-8-4-5-9-25(22)32-24)28-26(31)18-29-12-14-30(15-13-29)21-6-2-1-3-7-21/h1-11,16,23H,12-15,17-18H2,(H,28,31)