[4-(1-adamantylcarbonyl)piperazin-1-yl]-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Formula: C24H29ClN2O4 MolecularWeight: 444.95106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C(=C2)Cl)OCCO3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C(=C2)Cl)OCCO3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H29ClN2O4/c25-19-10-18(11-20-21(19)31-6-5-30-20)22(28)26-1-3-27(4-2-26)23(29)24-12-15-7-16(13-24)9-17(8-15)14-24/h10-11,15-17H,1-9,12-14H2