1-adamantylmethyl 4-(7-chloranylquinolin-4-yl)piperazine-1-carboxylate

Systemtic Name: 1-adamantylmethyl 4-(7-chloranylquinolin-4-yl)piperazine-1-carboxylate Openeye Name: 1-adamantylmethyl 4-(7-chloro-4-quinolyl)piperazine-1-carboxylate CAS Name: 4-(7-chloro-4-quinolinyl)-1-piperazinecarboxylic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-(7-chloroquinolin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(7-chloro-4-quinolyl)piperazine-1-carboxylic acid 1-adamantylmethyl ester Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)OCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)OCC45CC6CC(C4)CC(C6)C5

InChI

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