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

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-[6-bromanyl-2-(3-ethoxyphenyl)quinolin-4-yl]methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[6-bromo-2-(3-ethoxyphenyl)-4-quinolyl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-[6-bromo-2-(3-ethoxyphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-[6-bromo-2-(3-ethoxyphenyl)quinolin-4-yl]methanone Traditional Name: [4-(1-adamantyl)piperazino]-(6-bromo-2-m-phenetyl-4-quinolyl)methanone Formula: C32H36BrN3O2 MolecularWeight: 574.55114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C32H36BrN3O2/c1-2-38-26-5-3-4-24(15-26)30-17-28(27-16-25(33)6-7-29(27)34-30)31(37)35-8-10-36(11-9-35)32-18-21-12-22(19-32)14-23(13-21)20-32/h3-7,15-17,21-23H,2,8-14,18-20H2,1H3