[4-(1-adamantyl)piperazin-1-yl]-[6-bromanyl-2-(3,4-dimethylphenyl)quinolin-4-yl]methanone

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-[6-bromanyl-2-(3,4-dimethylphenyl)quinolin-4-yl]methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[6-bromo-2-(3,4-dimethylphenyl)-4-quinolyl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-[6-bromo-2-(3,4-dimethylphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]methanone Traditional Name: [4-(1-adamantyl)piperazino]-[6-bromo-2-(3,4-dimethylphenyl)-4-quinolyl]methanone Formula: C32H36BrN3O MolecularWeight: 558.55174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6)C

InChI

InChI=1S/C32H36BrN3O/c1-20-3-4-25(11-21(20)2)30-16-28(27-15-26(33)5-6-29(27)34-30)31(37)35-7-9-36(10-8-35)32-17-22-12-23(18-32)14-24(13-22)19-32/h3-6,11,15-16,22-24H,7-10,12-14,17-19H2,1-2H3