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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/c1-2-3-4-23-5-7-27(8-6-23)32-19-30(29-18-28(35)9-10-31(29)36-32)33(39)37-11-13-38(14-12-37)34-20-24-15-25(21-34)17-26(16-24)22-34/h5-10,18-19,24-26H,2-4,11-17,20-22H2,1H3