[4-(1-adamantyl)piperazin-1-yl]-[6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]methanone

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-[6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[6-bromo-2-(4-tert-butylphenyl)-4-quinolyl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-[6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-[6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]methanone Traditional Name: [4-(1-adamantyl)piperazino]-[6-bromo-2-(4-tert-butylphenyl)-4-quinolyl]methanone Formula: C34H40BrN3O MolecularWeight: 586.6049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C34H40BrN3O/c1-33(2,3)26-6-4-25(5-7-26)31-18-29(28-17-27(35)8-9-30(28)36-31)32(39)37-10-12-38(13-11-37)34-19-22-14-23(20-34)16-24(15-22)21-34/h4-9,17-18,22-24H,10-16,19-21H2,1-3H3