2-[[4-(1-adamantylcarbonyl)piperazin-1-yl]methyl]-8-chloranyl-1H-quinolin-4-one

Systemtic Name: 2-[[4-(1-adamantylcarbonyl)piperazin-1-yl]methyl]-8-chloranyl-1H-quinolin-4-one Openeye Name: 2-[[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl]-8-chloro-1H-quinolin-4-one CAS Name: 2-[[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]methyl]-8-chloro-1H-quinolin-4-one IUPAC Name: 2-[[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl]-8-chloro-1H-quinolin-4-one Traditional Name: 2-[[4-(adamantane-1-carbonyl)piperazino]methyl]-8-chloro-4-quinolone Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)C3=C(N2)C(=CC=C3)Cl)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)C3=C(N2)C(=CC=C3)Cl)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H30ClN3O2/c26-21-3-1-2-20-22(30)11-19(27-23(20)21)15-28-4-6-29(7-5-28)24(31)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-3,11,16-18H,4-10,12-15H2,(H,27,30)