3-[4-(2-adamantyl)piperazin-1-yl]-1-(2-chloranylphenothiazin-10-yl)propan-1-one dihydrochloride

Systemtic Name: 3-[4-(2-adamantyl)piperazin-1-yl]-1-(2-chloranylphenothiazin-10-yl)propan-1-one dihydrochloride Openeye Name: 3-[4-(2-adamantyl)piperazin-1-yl]-1-(2-chlorophenothiazin-10-yl)propan-1-one dihydrochloride CAS Name: 3-[4-(2-adamantyl)-1-piperazinyl]-1-(2-chloro-10-phenothiazinyl)-1-propanone dihydrochloride IUPAC Name: 3-[4-(2-adamantyl)piperazin-1-yl]-1-(2-chlorophenothiazin-10-yl)propan-1-one dihydrochloride Traditional Name: 3-[4-(2-adamantyl)piperazino]-1-(2-chlorophenothiazin-10-yl)propan-1-one dihydrochloride Formula: C29H36Cl3N3OS MolecularWeight: 581.03964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C5C6CC7CC(C6)CC5C7.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C5C6CC7CC(C6)CC5C7.Cl.Cl

InChI

InChI=1S/C29H34ClN3OS.2ClH/c30-23-5-6-27-25(18-23)33(24-3-1-2-4-26(24)35-27)28(34)7-8-31-9-11-32(12-10-31)29-21-14-19-13-20(16-21)17-22(29)15-19;;/h1-6,18-22,29H,7-17H2;2*1H